2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide

C17H23N5O3S — CID 91797464

IUPAC2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)nc(N)n1
InChIInChI=1S/C17H23N5O3S/c1-10(2)12-5-13(22-17(18)21-12)16(23)20-14-7-24-4-3-15(14)25-6-11-8-26-9-19-11/h5,8-10,14-15H,3-4,6-7H2,1-2H3,(H,20,23)(H2,18,21,22)/t14-,15+/m1/s1
InChIKeyCBZHTSPQAKNPOI-CABCVRRESA-N
MW377.47 g/mol
LogP1.74
Rot. Bonds6

About 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide

2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide (PubChem CID 91797464) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
PubChem CID91797464
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)nc(N)n1
InChIInChI=1S/C17H23N5O3S/c1-10(2)12-5-13(22-17(18)21-12)16(23)20-14-7-24-4-3-15(14)25-6-11-8-26-9-19-11/h5,8-10,14-15H,3-4,6-7H2,1-2H3,(H,20,23)(H2,18,21,22)/t14-,15+/m1/s1
InChIKeyCBZHTSPQAKNPOI-CABCVRRESA-N
XLogP1.74
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide 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-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide (CID 91797464) is 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)nc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
The InChIKey is CBZHTSPQAKNPOI-CABCVRRESA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-10(2)12-5-13(22-17(18)21-12)16(23)20-14-7-24-4-3-15(14)25-6-11-8-26-9-19-11/h5,8-10,14-15H,3-4,6-7H2,1-2H3,(H,20,23)(H2,18,21,22)/t14-,15+/m1/s1.
What are the key properties of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91797464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).