2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine

C12H14N4S — CID 122238988

IUPAC2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine
SMILESCc1nc(C)c(-c2cc(N)nc(C3CC3)n2)s1
InChIInChI=1S/C12H14N4S/c1-6-11(17-7(2)14-6)9-5-10(13)16-12(15-9)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,13,15,16)
InChIKeyCDHLBJMPUHMSMQ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.68
Rot. Bonds2

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

2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine (PubChem CID 122238988) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine
PubChem CID122238988
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine
SMILESCc1nc(C)c(-c2cc(N)nc(C3CC3)n2)s1
InChIInChI=1S/C12H14N4S/c1-6-11(17-7(2)14-6)9-5-10(13)16-12(15-9)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,13,15,16)
InChIKeyCDHLBJMPUHMSMQ-UHFFFAOYSA-N
XLogP2.68
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine (CID 122238988) is 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine is Cc1nc(C)c(-c2cc(N)nc(C3CC3)n2)s1.
What is the InChIKey of 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
The InChIKey is CDHLBJMPUHMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-6-11(17-7(2)14-6)9-5-10(13)16-12(15-9)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 122238988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).