4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 80981052

IUPAC4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(CN(C)c2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C17H24N4/c1-11(2)16-19-15(18)13(4)17(20-16)21(5)10-14-8-6-12(3)7-9-14/h6-9,11H,10H2,1-5H3,(H2,18,19,20)
InChIKeyYLMHTYYASXLBGP-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.44
Rot. Bonds4

About 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80981052) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80981052
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1ccc(CN(C)c2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C17H24N4/c1-11(2)16-19-15(18)13(4)17(20-16)21(5)10-14-8-6-12(3)7-9-14/h6-9,11H,10H2,1-5H3,(H2,18,19,20)
InChIKeyYLMHTYYASXLBGP-UHFFFAOYSA-N
XLogP3.44
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983692
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009
4-N,5-dimethyl-2-propan-2-yl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068833
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
CID 55011993
6-hydrazinyl-N,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 80932334
4-N-(4-fluorophenyl)-4-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983260

Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80981052) is 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is Cc1ccc(CN(C)c2nc(C(C)C)nc(N)c2C)cc1.
What is the InChIKey of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is YLMHTYYASXLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11(2)16-19-15(18)13(4)17(20-16)21(5)10-14-8-6-12(3)7-9-14/h6-9,11H,10H2,1-5H3,(H2,18,19,20).
What are the key properties of 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).