2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

C22H25N5OS — CID 71271282

IUPAC2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C3CC3)n2)s1
InChIInChI=1S/C22H25N5OS/c1-13-19(29-14(2)25-13)11-24-20-10-21(27-22(26-20)15-6-7-15)28-12-16-9-17(16)18-5-3-4-8-23-18/h3-5,8,10,15-17H,6-7,9,11-12H2,1-2H3,(H,24,26,27)/t16-,17+/m1/s1
InChIKeyGBWLFYCXOFCJMJ-SJORKVTESA-N
MW407.54 g/mol
LogP4.62
Rot. Bonds8

About 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71271282) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71271282
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C3CC3)n2)s1
InChIInChI=1S/C22H25N5OS/c1-13-19(29-14(2)25-13)11-24-20-10-21(27-22(26-20)15-6-7-15)28-12-16-9-17(16)18-5-3-4-8-23-18/h3-5,8,10,15-17H,6-7,9,11-12H2,1-2H3,(H,24,26,27)/t16-,17+/m1/s1
InChIKeyGBWLFYCXOFCJMJ-SJORKVTESA-N
XLogP4.62
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (CID 71271282) is 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C3CC3)n2)s1.
What is the InChIKey of 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is GBWLFYCXOFCJMJ-SJORKVTESA-N. The full InChI is InChI=1S/C22H25N5OS/c1-13-19(29-14(2)25-13)11-24-20-10-21(27-22(26-20)15-6-7-15)28-12-16-9-17(16)18-5-3-4-8-23-18/h3-5,8,10,15-17H,6-7,9,11-12H2,1-2H3,(H,24,26,27)/t16-,17+/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 407.54 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71271282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).