6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H14ClN3S — CID 80953768

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H14ClN3S/c1-17(8-10-3-2-6-18-10)12-7-11(14)15-13(16-12)9-4-5-9/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyPXFHARMRPPOITF-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.71
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80953768) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80953768
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1cccs1)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H14ClN3S/c1-17(8-10-3-2-6-18-10)12-7-11(14)15-13(16-12)9-4-5-9/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyPXFHARMRPPOITF-UHFFFAOYSA-N
XLogP3.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010
6-chloro-2-cyclopropyl-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80953491
4-chloro-2-cyclopropyl-6-(thiophen-2-ylmethyl)pyrimidine
CID 121205893
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 80953931
6-chloro-2-cyclopropyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyrimidin-4-amine
CID 133416487
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80951237
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
4-chloro-2-cyclopropyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133416457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80953768) is 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CN(Cc1cccs1)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PXFHARMRPPOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-17(8-10-3-2-6-18-10)12-7-11(14)15-13(16-12)9-4-5-9/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 279.80 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).