4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine

C16H23N5 — CID 90189616

IUPAC4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(-c2cc(NCC(C)(C)N)nc(N)n2)c1C
InChIInChI=1S/C16H23N5/c1-10-6-5-7-12(11(10)2)13-8-14(21-15(17)20-13)19-9-16(3,4)18/h5-8H,9,18H2,1-4H3,(H3,17,19,20,21)
InChIKeyPHKKGSDJBDWQKU-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.49
Rot. Bonds4

About 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine

4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 90189616) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID90189616
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(-c2cc(NCC(C)(C)N)nc(N)n2)c1C
InChIInChI=1S/C16H23N5/c1-10-6-5-7-12(11(10)2)13-8-14(21-15(17)20-13)19-9-16(3,4)18/h5-8H,9,18H2,1-4H3,(H3,17,19,20,21)
InChIKeyPHKKGSDJBDWQKU-UHFFFAOYSA-N
XLogP2.49
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine (CID 90189616) is 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine is Cc1cccc(-c2cc(NCC(C)(C)N)nc(N)n2)c1C.
What is the InChIKey of 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is PHKKGSDJBDWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-6-5-7-12(11(10)2)13-8-14(21-15(17)20-13)19-9-16(3,4)18/h5-8H,9,18H2,1-4H3,(H3,17,19,20,21).
What are the key properties of 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 90189616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).