6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine

C15H13ClN4OS — CID 171090132

IUPAC6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc(OCc3nccs3)cc2)ncn1
InChIInChI=1S/C15H13ClN4OS/c16-13-7-14(20-10-19-13)18-8-11-1-3-12(4-2-11)21-9-15-17-5-6-22-15/h1-7,10H,8-9H2,(H,18,19,20)
InChIKeyGXEILZUOXVHDPU-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.78
Rot. Bonds6

About 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine

6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine (PubChem CID 171090132) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
PubChem CID171090132
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc(OCc3nccs3)cc2)ncn1
InChIInChI=1S/C15H13ClN4OS/c16-13-7-14(20-10-19-13)18-8-11-1-3-12(4-2-11)21-9-15-17-5-6-22-15/h1-7,10H,8-9H2,(H,18,19,20)
InChIKeyGXEILZUOXVHDPU-UHFFFAOYSA-N
XLogP3.78
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine (CID 171090132) is 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine is Clc1cc(NCc2ccc(OCc3nccs3)cc2)ncn1.
What is the InChIKey of 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is GXEILZUOXVHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c16-13-7-14(20-10-19-13)18-8-11-1-3-12(4-2-11)21-9-15-17-5-6-22-15/h1-7,10H,8-9H2,(H,18,19,20).
What are the key properties of 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine?
6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 332.82 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 171090132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).