4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)

C72H71N15O — CID 159815160

IUPAC4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
SMILESCc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.Cc1ccc(Oc2ccnc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/3C18H18N4.C18H17N3O/c2*1-13-6-8-15(9-7-13)20-17-10-11-19-18(22-17)21-16-5-3-4-14(2)12-16;1-13-7-9-15(10-8-13)20-17-11-12-19-18(22-17)21-16-6-4-3-5-14(16)2;1-13-7-9-15(10-8-13)22-17-11-12-19-18(21-17)20-16-6-4-3-5-14(16)2/h3*3-12H,1-2H3,(H2,19,20,21,22);3-12H,1-2H3,(H,19,20,21)
InChIKeyNLNINRGVZQWZNX-UHFFFAOYSA-N
MW1162.46 g/mol
LogP18.37
Rot. Bonds16

About 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)

4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) (PubChem CID 159815160) has the molecular formula C72H71N15O and a molecular weight of 1162.46 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine).

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
PubChem CID159815160
Molecular FormulaC72H71N15O
Molecular Weight1162.46 g/mol
Exact Mass1161.60
IUPAC Name4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
SMILESCc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.Cc1ccc(Oc2ccnc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/3C18H18N4.C18H17N3O/c2*1-13-6-8-15(9-7-13)20-17-10-11-19-18(22-17)21-16-5-3-4-14(2)12-16;1-13-7-9-15(10-8-13)20-17-11-12-19-18(22-17)21-16-6-4-3-5-14(16)2;1-13-7-9-15(10-8-13)22-17-11-12-19-18(21-17)20-16-6-4-3-5-14(16)2/h3*3-12H,1-2H3,(H2,19,20,21,22);3-12H,1-2H3,(H,19,20,21)
InChIKeyNLNINRGVZQWZNX-UHFFFAOYSA-N
XLogP18.37
TPSA196.56 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001162.46
LogP ≤ 518.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The IUPAC name of 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) (CID 159815160) is 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine).
What is the SMILES notation for 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The canonical SMILES for 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) is Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3cccc(C)c3)n2)cc1.Cc1ccc(Nc2ccnc(Nc3ccccc3C)n2)cc1.Cc1ccc(Oc2ccnc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
The InChIKey is NLNINRGVZQWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H18N4.C18H17N3O/c2*1-13-6-8-15(9-7-13)20-17-10-11-19-18(22-17)21-16-5-3-4-14(2)12-16;1-13-7-9-15(10-8-13)20-17-11-12-19-18(22-17)21-16-6-4-3-5-14(16)2;1-13-7-9-15(10-8-13)22-17-11-12-19-18(21-17)20-16-6-4-3-5-14(16)2/h3*3-12H,1-2H3,(H2,19,20,21,22);3-12H,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)?
4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) has a molecular weight of 1162.46 g/mol, XLogP of 18.37, 16 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(2-methylphenyl)pyrimidin-2-amine;2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine) is sourced from PubChem (CID 159815160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).