6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C14H16ClN3S — CID 63729453

IUPAC6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H16ClN3S/c1-9-13(15)16-10(2)17-14(9)18(12-3-4-12)7-11-5-6-19-8-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeySIEIJMSAMKEIPB-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.98
Rot. Bonds4

About 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 63729453) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID63729453
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H16ClN3S/c1-9-13(15)16-10(2)17-14(9)18(12-3-4-12)7-11-5-6-19-8-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeySIEIJMSAMKEIPB-UHFFFAOYSA-N
XLogP3.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
6-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380172
6-chloro-N-cyclopentyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 55229296
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80938379
4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055267
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 61434320
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906520
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 63729453) is 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is SIEIJMSAMKEIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-9-13(15)16-10(2)17-14(9)18(12-3-4-12)7-11-5-6-19-8-11/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 293.82 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63729453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).