N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine

C14H12ClN5S — CID 11255595

IUPACN-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(Cl)nc3)n2)s1
InChIInChI=1S/C14H12ClN5S/c1-8-13(21-9(2)18-8)11-5-6-16-14(20-11)19-10-3-4-12(15)17-7-10/h3-7H,1-2H3,(H,16,19,20)
InChIKeyMMTRPGUYGOMIEQ-UHFFFAOYSA-N
MW317.81 g/mol
LogP4.01
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine

N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 11255595) has the molecular formula C14H12ClN5S and a molecular weight of 317.81 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID11255595
Molecular FormulaC14H12ClN5S
Molecular Weight317.81 g/mol
Exact Mass317.05
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(Cl)nc3)n2)s1
InChIInChI=1S/C14H12ClN5S/c1-8-13(21-9(2)18-8)11-5-6-16-14(20-11)19-10-3-4-12(15)17-7-10/h3-7H,1-2H3,(H,16,19,20)
InChIKeyMMTRPGUYGOMIEQ-UHFFFAOYSA-N
XLogP4.01
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine (CID 11255595) is N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccc(Cl)nc3)n2)s1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is MMTRPGUYGOMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5S/c1-8-13(21-9(2)18-8)11-5-6-16-14(20-11)19-10-3-4-12(15)17-7-10/h3-7H,1-2H3,(H,16,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine?
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 317.81 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 11255595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).