6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine

C16H20ClN3 — CID 80940880

IUPAC6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H20ClN3/c1-4-8-15-18-14(17)11-16(19-15)20(5-2)13-10-7-6-9-12(13)3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeySBHGITGBGULRDN-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.55
Rot. Bonds5

About 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine

6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine (PubChem CID 80940880) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
PubChem CID80940880
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H20ClN3/c1-4-8-15-18-14(17)11-16(19-15)20(5-2)13-10-7-6-9-12(13)3/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeySBHGITGBGULRDN-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-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

6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563542
6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80973600
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63540061
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80940376
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
6-(N-ethyl-2-methylanilino)pyridine-2-carbonitrile
CID 64587866
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine (CID 80940880) is 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(N(CC)c2ccccc2C)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine?
The InChIKey is SBHGITGBGULRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-8-15-18-14(17)11-16(19-15)20(5-2)13-10-7-6-9-12(13)3/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine?
6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).