2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C16H22N4 — CID 80794156

IUPAC2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)Cc2cccc(C)c2)n1
InChIInChI=1S/C16H22N4/c1-5-17-16-18-10-13(3)15(19-16)20(4)11-14-8-6-7-12(2)9-14/h6-10H,5,11H2,1-4H3,(H,17,18,19)
InChIKeyHJAATSXPSCVELQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.16
Rot. Bonds5

About 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80794156) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID80794156
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)Cc2cccc(C)c2)n1
InChIInChI=1S/C16H22N4/c1-5-17-16-18-10-13(3)15(19-16)20(4)11-14-8-6-7-12(2)9-14/h6-10H,5,11H2,1-4H3,(H,17,18,19)
InChIKeyHJAATSXPSCVELQ-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80839822
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
3-(ethylaminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62288170
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80829683
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 80794156) is 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(N(C)Cc2cccc(C)c2)n1.
What is the InChIKey of 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HJAATSXPSCVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-17-16-18-10-13(3)15(19-16)20(4)11-14-8-6-7-12(2)9-14/h6-10H,5,11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80794156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).