(3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide

C12H19N3O — CID 130219191

IUPAC(3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCN2C(C)=N[C@@H](C)C(C)=C12
InChIInChI=1S/C12H19N3O/c1-7-8(2)14-9(3)15-6-5-10(11(7)15)12(16)13-4/h8,10H,5-6H2,1-4H3,(H,13,16)/t8-,10?/m0/s1
InChIKeyJYOOOCMESOOVMG-PEHGTWAWSA-N
MW221.30 g/mol
LogP1.15
Rot. Bonds1

About (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide

(3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide (PubChem CID 130219191) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide
PubChem CID130219191
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCN2C(C)=N[C@@H](C)C(C)=C12
InChIInChI=1S/C12H19N3O/c1-7-8(2)14-9(3)15-6-5-10(11(7)15)12(16)13-4/h8,10H,5-6H2,1-4H3,(H,13,16)/t8-,10?/m0/s1
InChIKeyJYOOOCMESOOVMG-PEHGTWAWSA-N
XLogP1.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-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)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
The IUPAC name of (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide (CID 130219191) is (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide.
What is the SMILES notation for (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
The canonical SMILES for (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide is CNC(=O)C1CCN2C(C)=N[C@@H](C)C(C)=C12.
What is the InChIKey of (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
The InChIKey is JYOOOCMESOOVMG-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7-8(2)14-9(3)15-6-5-10(11(7)15)12(16)13-4/h8,10H,5-6H2,1-4H3,(H,13,16)/t8-,10?/m0/s1.
What are the key properties of (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide?
(3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,1,3,4-tetramethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-5-carboxamide is sourced from PubChem (CID 130219191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).