4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

C21H24N4O — CID 112877709

IUPAC4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3ccc(C(C)C)cc3)nc(C)n2)c1
InChIInChI=1S/C21H24N4O/c1-14(2)16-8-10-17(11-9-16)24-20-13-21(23-15(3)22-20)25-18-6-5-7-19(12-18)26-4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyHHIITRPRGMBSND-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.40
Rot. Bonds6

About 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112877709) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112877709
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3ccc(C(C)C)cc3)nc(C)n2)c1
InChIInChI=1S/C21H24N4O/c1-14(2)16-8-10-17(11-9-16)24-20-13-21(23-15(3)22-20)25-18-6-5-7-19(12-18)26-4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyHHIITRPRGMBSND-UHFFFAOYSA-N
XLogP5.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112872828
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112877709) is 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is COc1cccc(Nc2cc(Nc3ccc(C(C)C)cc3)nc(C)n2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is HHIITRPRGMBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)16-8-10-17(11-9-16)24-20-13-21(23-15(3)22-20)25-18-6-5-7-19(12-18)26-4/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112877709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).