6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H16ClN3S — CID 63729773

IUPAC6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1N(C)Cc1cccs1
InChIInChI=1S/C13H16ClN3S/c1-9(2)11-12(14)15-8-16-13(11)17(3)7-10-5-4-6-18-10/h4-6,8-9H,7H2,1-3H3
InChIKeyMMGVHLPWUKAGGJ-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.95
Rot. Bonds4

About 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 63729773) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID63729773
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1N(C)Cc1cccs1
InChIInChI=1S/C13H16ClN3S/c1-9(2)11-12(14)15-8-16-13(11)17(3)7-10-5-4-6-18-10/h4-6,8-9H,7H2,1-3H3
InChIKeyMMGVHLPWUKAGGJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729253
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728796
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
6-chloro-N-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488086
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 63729773) is 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CC(C)c1c(Cl)ncnc1N(C)Cc1cccs1.
What is the InChIKey of 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is MMGVHLPWUKAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9(2)11-12(14)15-8-16-13(11)17(3)7-10-5-4-6-18-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63729773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).