N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C19H21N5O — CID 74232054

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21N5O/c1-14-17(24-10-5-9-20-19(24)21-14)18(25)22-16-8-11-23(13-16)12-15-6-3-2-4-7-15/h2-7,9-10,16H,8,11-13H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyAJCBZZOCRPOFTI-INIZCTEOSA-N
MW335.41 g/mol
LogP2.04
Rot. Bonds4

About N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 74232054) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID74232054
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21N5O/c1-14-17(24-10-5-9-20-19(24)21-14)18(25)22-16-8-11-23(13-16)12-15-6-3-2-4-7-15/h2-7,9-10,16H,8,11-13H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyAJCBZZOCRPOFTI-INIZCTEOSA-N
XLogP2.04
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 74232054) is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AJCBZZOCRPOFTI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-17(24-10-5-9-20-19(24)21-14)18(25)22-16-8-11-23(13-16)12-15-6-3-2-4-7-15/h2-7,9-10,16H,8,11-13H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74232054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).