N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine

C16H21N3S — CID 63561391

IUPACN,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(SC)cc2)nc(CC)c1C
InChIInChI=1S/C16H21N3S/c1-5-14-11(3)15(17-6-2)19-16(18-14)12-7-9-13(20-4)10-8-12/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyMZGOZGUPZNHXKN-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.17
Rot. Bonds5

About N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine

N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 63561391) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID63561391
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(SC)cc2)nc(CC)c1C
InChIInChI=1S/C16H21N3S/c1-5-14-11(3)15(17-6-2)19-16(18-14)12-7-9-13(20-4)10-8-12/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyMZGOZGUPZNHXKN-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)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

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
2,4-Diaminopyrimidine-based antagonist, 4c
CID 11538533
N-cyclohexyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9930803
N-benzyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9931215
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
N-sec-butyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 45268661
4,6-dimethyl-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]pyrimidin-2-amine
CID 9641063
N4-benzyl-6-methyl-N2-phenyl-pyrimidine-2,4-diamine
CID 5276763
2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 24205505
2-benzyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 25070909
2-benzyl-N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 25071230

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine (CID 63561391) is N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(SC)cc2)nc(CC)c1C.
What is the InChIKey of N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is MZGOZGUPZNHXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-14-11(3)15(17-6-2)19-16(18-14)12-7-9-13(20-4)10-8-12/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine?
N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63561391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).