5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C9H8ClN3S — CID 79557672

IUPAC5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cnc(NCc2cccs2)nc1
InChIInChI=1S/C9H8ClN3S/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-8/h1-5H,6H2,(H,11,12,13)
InChIKeyIBWXSMLWOMMMBT-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 79557672) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID79557672
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cnc(NCc2cccs2)nc1
InChIInChI=1S/C9H8ClN3S/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-8/h1-5H,6H2,(H,11,12,13)
InChIKeyIBWXSMLWOMMMBT-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 61146262
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507
5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazol-2-amine
CID 130735490
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671
2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 62142703
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 68647705
4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 94674649
5-propyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 104599839

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 79557672) is 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is Clc1cnc(NCc2cccs2)nc1.
What is the InChIKey of 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is IBWXSMLWOMMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-8/h1-5H,6H2,(H,11,12,13).
What are the key properties of 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 225.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 79557672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).