N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine

C17H23N3 — CID 20680494

IUPACN,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine
SMILESCc1nccc(N(C)c2c(C)c(C)c(C)c(C)c2C)n1
InChIInChI=1S/C17H23N3/c1-10-11(2)13(4)17(14(5)12(10)3)20(7)16-8-9-18-15(6)19-16/h8-9H,1-7H3
InChIKeyNKDMQQKYUCAJNT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.10
Rot. Bonds2

About N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine

N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine (PubChem CID 20680494) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine
PubChem CID20680494
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine
SMILESCc1nccc(N(C)c2c(C)c(C)c(C)c(C)c2C)n1
InChIInChI=1S/C17H23N3/c1-10-11(2)13(4)17(14(5)12(10)3)20(7)16-8-9-18-15(6)19-16/h8-9H,1-7H3
InChIKeyNKDMQQKYUCAJNT-UHFFFAOYSA-N
XLogP4.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
CID 62970102
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 104555444
2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 82503810
N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
CID 66182049
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885
N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 63392490
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
CID 63392200
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
N-cyclopropyl-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62770071
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine (CID 20680494) is N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine is Cc1nccc(N(C)c2c(C)c(C)c(C)c(C)c2C)n1.
What is the InChIKey of N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine?
The InChIKey is NKDMQQKYUCAJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-10-11(2)13(4)17(14(5)12(10)3)20(7)16-8-9-18-15(6)19-16/h8-9H,1-7H3.
What are the key properties of N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine?
N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 20680494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).