6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C16H18ClN3S — CID 80979010

IUPAC6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18ClN3S/c1-10-14(17)18-15(12-2-3-12)19-16(10)20(13-4-5-13)8-11-6-7-21-9-11/h6-7,9,12-13H,2-5,8H2,1H3
InChIKeyJZQFAJKVUFJGJH-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.55
Rot. Bonds5

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

6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80979010) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID80979010
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18ClN3S/c1-10-14(17)18-15(12-2-3-12)19-16(10)20(13-4-5-13)8-11-6-7-21-9-11/h6-7,9,12-13H,2-5,8H2,1H3
InChIKeyJZQFAJKVUFJGJH-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80970762
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
6-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380172
N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80973741
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80980363
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 80979010) is 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1N(Cc1ccsc1)C1CC1.
What is the InChIKey of 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is JZQFAJKVUFJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-10-14(17)18-15(12-2-3-12)19-16(10)20(13-4-5-13)8-11-6-7-21-9-11/h6-7,9,12-13H,2-5,8H2,1H3.
What are the key properties of 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 319.86 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80979010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).