6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine

C16H22ClN3S — CID 80979033

IUPAC6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C16H22ClN3S/c1-5-7-13-18-15(17)11(4)16(19-13)20-14(10(2)3)12-8-6-9-21-12/h6,8-10,14H,5,7H2,1-4H3,(H,18,19,20)
InChIKeyGFFRHKVYNCVFKS-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.26
Rot. Bonds6

About 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine (PubChem CID 80979033) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
PubChem CID80979033
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C16H22ClN3S/c1-5-7-13-18-15(17)11(4)16(19-13)20-14(10(2)3)12-8-6-9-21-12/h6,8-10,14H,5,7H2,1-4H3,(H,18,19,20)
InChIKeyGFFRHKVYNCVFKS-UHFFFAOYSA-N
XLogP5.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80904535
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114156614
6-hydrazinyl-N,5-dimethyl-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80994920
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine (CID 80979033) is 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC(c2cccs2)C(C)C)n1.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine?
The InChIKey is GFFRHKVYNCVFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-5-7-13-18-15(17)11(4)16(19-13)20-14(10(2)3)12-8-6-9-21-12/h6,8-10,14H,5,7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine has a molecular weight of 323.89 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80979033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).