5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine

C8H7ClN4S — CID 79556675

IUPAC5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cnc(NCc2nccs2)nc1
InChIInChI=1S/C8H7ClN4S/c9-6-3-11-8(12-4-6)13-5-7-10-1-2-14-7/h1-4H,5H2,(H,11,12,13)
InChIKeyRMEPAXGKBBVMPV-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.20
Rot. Bonds3

About 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine

5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine (PubChem CID 79556675) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
PubChem CID79556675
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cnc(NCc2nccs2)nc1
InChIInChI=1S/C8H7ClN4S/c9-6-3-11-8(12-4-6)13-5-7-10-1-2-14-7/h1-4H,5H2,(H,11,12,13)
InChIKeyRMEPAXGKBBVMPV-UHFFFAOYSA-N
XLogP2.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 164647695
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 114452746
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine (CID 79556675) is 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine is Clc1cnc(NCc2nccs2)nc1.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is RMEPAXGKBBVMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-6-3-11-8(12-4-6)13-5-7-10-1-2-14-7/h1-4H,5H2,(H,11,12,13).
What are the key properties of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine?
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 226.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 79556675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).