2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide

C19H25N5O2 — CID 118769446

IUPAC2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H25N5O2/c1-12(2)24-10-15(16(11-24)26-3)22-18(25)14-9-21-19(20)23-17(14)13-7-5-4-6-8-13/h4-9,12,15-16H,10-11H2,1-3H3,(H,22,25)(H2,20,21,23)/t15-,16-/m0/s1
InChIKeyTWWBFKVCFSEVQY-HOTGVXAUSA-N
MW355.44 g/mol
LogP1.56
Rot. Bonds5

About 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide

2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 118769446) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
PubChem CID118769446
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H25N5O2/c1-12(2)24-10-15(16(11-24)26-3)22-18(25)14-9-21-19(20)23-17(14)13-7-5-4-6-8-13/h4-9,12,15-16H,10-11H2,1-3H3,(H,22,25)(H2,20,21,23)/t15-,16-/m0/s1
InChIKeyTWWBFKVCFSEVQY-HOTGVXAUSA-N
XLogP1.56
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-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 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide (CID 118769446) is 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is TWWBFKVCFSEVQY-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(2)24-10-15(16(11-24)26-3)22-18(25)14-9-21-19(20)23-17(14)13-7-5-4-6-8-13/h4-9,12,15-16H,10-11H2,1-3H3,(H,22,25)(H2,20,21,23)/t15-,16-/m0/s1.
What are the key properties of 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide?
2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 118769446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).