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

C17H23N5O3S — CID 91766560

IUPAC2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)nc(N)n1
InChIInChI=1S/C17H23N5O3S/c1-10(2)13-5-14(22-17(18)21-13)16(23)20-12-3-4-24-7-15(12)25-6-11-8-26-9-19-11/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,20,23)(H2,18,21,22)/t12-,15-/m1/s1
InChIKeyZRCCASYABRMUID-IUODEOHRSA-N
MW377.47 g/mol
LogP1.74
Rot. Bonds6

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

2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide (PubChem CID 91766560) 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-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide
PubChem CID91766560
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)nc(N)n1
InChIInChI=1S/C17H23N5O3S/c1-10(2)13-5-14(22-17(18)21-13)16(23)20-12-3-4-24-7-15(12)25-6-11-8-26-9-19-11/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,20,23)(H2,18,21,22)/t12-,15-/m1/s1
InChIKeyZRCCASYABRMUID-IUODEOHRSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide (CID 91766560) is 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)nc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide?
The InChIKey is ZRCCASYABRMUID-IUODEOHRSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-10(2)13-5-14(22-17(18)21-13)16(23)20-12-3-4-24-7-15(12)25-6-11-8-26-9-19-11/h5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,20,23)(H2,18,21,22)/t12-,15-/m1/s1.
What are the key properties of 2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide?
2-amino-6-propan-2-yl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-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-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91766560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).