6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

C13H15ClN4S — CID 80972289

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2nc(C3CC3)nc(Cl)c2C)s1
InChIInChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)16-6-10-5-15-8(2)19-10/h5,9H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyPTJWCECUGBETAA-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.69
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 80972289) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID80972289
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2nc(C3CC3)nc(Cl)c2C)s1
InChIInChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)16-6-10-5-15-8(2)19-10/h5,9H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyPTJWCECUGBETAA-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 80972289) is 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is Cc1ncc(CNc2nc(C3CC3)nc(Cl)c2C)s1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is PTJWCECUGBETAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-7-11(14)17-13(9-3-4-9)18-12(7)16-6-10-5-15-8(2)19-10/h5,9H,3-4,6H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 294.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80972289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).