(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide

C12H16F2N4O3 — CID 154756060

IUPAC(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESCOCc1cc(NC(=O)N2CC[C@H](OC(F)F)C2)ncn1
InChIInChI=1S/C12H16F2N4O3/c1-20-6-8-4-10(16-7-15-8)17-12(19)18-3-2-9(5-18)21-11(13)14/h4,7,9,11H,2-3,5-6H2,1H3,(H,15,16,17,19)/t9-/m0/s1
InChIKeySICPOUMTMAESKT-VIFPVBQESA-N
MW302.28 g/mol
LogP1.47
Rot. Bonds5

About (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide

(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 154756060) has the molecular formula C12H16F2N4O3 and a molecular weight of 302.28 g/mol. Its IUPAC name is (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID154756060
Molecular FormulaC12H16F2N4O3
Molecular Weight302.28 g/mol
Exact Mass302.12
IUPAC Name(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESCOCc1cc(NC(=O)N2CC[C@H](OC(F)F)C2)ncn1
InChIInChI=1S/C12H16F2N4O3/c1-20-6-8-4-10(16-7-15-8)17-12(19)18-3-2-9(5-18)21-11(13)14/h4,7,9,11H,2-3,5-6H2,1H3,(H,15,16,17,19)/t9-/m0/s1
InChIKeySICPOUMTMAESKT-VIFPVBQESA-N
XLogP1.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-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 (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide (CID 154756060) is (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide is COCc1cc(NC(=O)N2CC[C@H](OC(F)F)C2)ncn1.
What is the InChIKey of (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is SICPOUMTMAESKT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F2N4O3/c1-20-6-8-4-10(16-7-15-8)17-12(19)18-3-2-9(5-18)21-11(13)14/h4,7,9,11H,2-3,5-6H2,1H3,(H,15,16,17,19)/t9-/m0/s1.
What are the key properties of (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154756060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).