4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C17H24N4 — CID 80751646

IUPAC4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-10-18-17-19-14(3)11-16(20-17)21(4)12-15-8-6-13(2)7-9-15/h6-9,11H,5,10,12H2,1-4H3,(H,18,19,20)
InChIKeyPBYBUINBTXDFOV-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.55
Rot. Bonds6

About 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80751646) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80751646
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-10-18-17-19-14(3)11-16(20-17)21(4)12-15-8-6-13(2)7-9-15/h6-9,11H,5,10,12H2,1-4H3,(H,18,19,20)
InChIKeyPBYBUINBTXDFOV-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-bromophenyl)methyl]-4-N,6-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80778161
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
N-methyl-2-[methyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80780270
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916911
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80751646) is 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(C)Cc2ccc(C)cc2)n1.
What is the InChIKey of 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PBYBUINBTXDFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-10-18-17-19-14(3)11-16(20-17)21(4)12-15-8-6-13(2)7-9-15/h6-9,11H,5,10,12H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80751646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).