2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride

C21H24ClN5O — CID 165115822

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride
SMILESC[C@@H](NC(=O)c1ccnc(N2CC[C@@H](N)C2)n1)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H23N5O.ClH/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-20(27)19-9-11-23-21(25-19)26-12-10-16(22)13-26;/h2-9,11,14,16H,10,12-13,22H2,1H3,(H,24,27);1H/t14-,16-;/m1./s1
InChIKeyQYKICPHYKMIRJM-VNYZMKMESA-N
MW397.91 g/mol
LogP3.08
Rot. Bonds4

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride

2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride (PubChem CID 165115822) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride
PubChem CID165115822
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride
SMILESC[C@@H](NC(=O)c1ccnc(N2CC[C@@H](N)C2)n1)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H23N5O.ClH/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-20(27)19-9-11-23-21(25-19)26-12-10-16(22)13-26;/h2-9,11,14,16H,10,12-13,22H2,1H3,(H,24,27);1H/t14-,16-;/m1./s1
InChIKeyQYKICPHYKMIRJM-VNYZMKMESA-N
XLogP3.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
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CID 162334300
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4-[1-(4-chlorophenyl)cyclopentyl]-2-(4-methylpiperidin-1-yl)-N-(1-naphthalen-1-ylethyl)pyrimidine-5-carboxamide
CID 91310974
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride (CID 165115822) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride is C[C@@H](NC(=O)c1ccnc(N2CC[C@@H](N)C2)n1)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride?
The InChIKey is QYKICPHYKMIRJM-VNYZMKMESA-N. The full InChI is InChI=1S/C21H23N5O.ClH/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-20(27)19-9-11-23-21(25-19)26-12-10-16(22)13-26;/h2-9,11,14,16H,10,12-13,22H2,1H3,(H,24,27);1H/t14-,16-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 165115822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).