6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine

C16H20ClN3S — CID 80979822

IUPAC6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1cc(C(C)Nc2nc(C3CC3)nc(Cl)c2C)c(C)s1
InChIInChI=1S/C16H20ClN3S/c1-8-7-13(11(4)21-8)10(3)18-15-9(2)14(17)19-16(20-15)12-5-6-12/h7,10,12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyCTHSVJIHIMBEJN-UHFFFAOYSA-N
MW321.88 g/mol
LogP5.17
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 80979822) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine
PubChem CID80979822
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1cc(C(C)Nc2nc(C3CC3)nc(Cl)c2C)c(C)s1
InChIInChI=1S/C16H20ClN3S/c1-8-7-13(11(4)21-8)10(3)18-15-9(2)14(17)19-16(20-15)12-5-6-12/h7,10,12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyCTHSVJIHIMBEJN-UHFFFAOYSA-N
XLogP5.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.88
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979147
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80802390
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
5-bromo-2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 79072973
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106196088
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169277
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80978050

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine (CID 80979822) is 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine is Cc1cc(C(C)Nc2nc(C3CC3)nc(Cl)c2C)c(C)s1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is CTHSVJIHIMBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-8-7-13(11(4)21-8)10(3)18-15-9(2)14(17)19-16(20-15)12-5-6-12/h7,10,12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 321.88 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).