N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C17H23N5O3S — CID 133132474

IUPACN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cnc(-c2csc(C)n2)[nH]c1=O
InChIInChI=1S/C17H23N5O3S/c1-9(2)22-6-12(14(7-22)25-4)20-16(23)11-5-18-15(21-17(11)24)13-8-26-10(3)19-13/h5,8-9,12,14H,6-7H2,1-4H3,(H,20,23)(H,18,21,24)/t12-,14-/m1/s1
InChIKeyDSQGWRBNQSITEB-TZMCWYRMSA-N
MW377.47 g/mol
LogP1.04
Rot. Bonds5

About N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 133132474) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID133132474
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cnc(-c2csc(C)n2)[nH]c1=O
InChIInChI=1S/C17H23N5O3S/c1-9(2)22-6-12(14(7-22)25-4)20-16(23)11-5-18-15(21-17(11)24)13-8-26-10(3)19-13/h5,8-9,12,14H,6-7H2,1-4H3,(H,20,23)(H,18,21,24)/t12-,14-/m1/s1
InChIKeyDSQGWRBNQSITEB-TZMCWYRMSA-N
XLogP1.04
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 133132474) is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cnc(-c2csc(C)n2)[nH]c1=O.
What is the InChIKey of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DSQGWRBNQSITEB-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-9(2)22-6-12(14(7-22)25-4)20-16(23)11-5-18-15(21-17(11)24)13-8-26-10(3)19-13/h5,8-9,12,14H,6-7H2,1-4H3,(H,20,23)(H,18,21,24)/t12-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 133132474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).