2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C21H24N4 — CID 112871781

IUPAC2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NCc3cccc(C)c3)nc(C)n2)c1
InChIInChI=1S/C21H24N4/c1-15-6-4-8-18(10-15)13-22-20-12-21(25-17(3)24-20)23-14-19-9-5-7-16(2)11-19/h4-12H,13-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyVHQRHCSAIBXGCF-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.63
Rot. Bonds6

About 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112871781) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112871781
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2cc(NCc3cccc(C)c3)nc(C)n2)c1
InChIInChI=1S/C21H24N4/c1-15-6-4-8-18(10-15)13-22-20-12-21(25-17(3)24-20)23-14-19-9-5-7-16(2)11-19/h4-12H,13-14H2,1-3H3,(H2,22,23,24,25)
InChIKeyVHQRHCSAIBXGCF-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112871878
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
4-[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870995
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715553
ethyl 2-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871899
N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 112871781) is 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is Cc1cccc(CNc2cc(NCc3cccc(C)c3)nc(C)n2)c1.
What is the InChIKey of 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is VHQRHCSAIBXGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-6-4-8-18(10-15)13-22-20-12-21(25-17(3)24-20)23-14-19-9-5-7-16(2)11-19/h4-12H,13-14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112871781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).