(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one

C16H19N5O — CID 97444975

IUPAC(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCCCN1C[C@@H](Nc2nccc(-c3cccnc3)n2)CC1=O
InChIInChI=1S/C16H19N5O/c1-2-8-21-11-13(9-15(21)22)19-16-18-7-5-14(20-16)12-4-3-6-17-10-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyVKTXJYUJVOPZNP-ZDUSSCGKSA-N
MW297.36 g/mol
LogP1.96
Rot. Bonds5

About (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one

(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one (PubChem CID 97444975) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
PubChem CID97444975
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCCCN1C[C@@H](Nc2nccc(-c3cccnc3)n2)CC1=O
InChIInChI=1S/C16H19N5O/c1-2-8-21-11-13(9-15(21)22)19-16-18-7-5-14(20-16)12-4-3-6-17-10-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyVKTXJYUJVOPZNP-ZDUSSCGKSA-N
XLogP1.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95217517
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
CID 125157875
4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 137342222
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 50966800
1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
CID 72894729
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
4-[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 46997243
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56906658
(3aR,7aR)-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7212190

Frequently Asked Questions

What is the IUPAC name of (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one (CID 97444975) is (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one is CCCN1C[C@@H](Nc2nccc(-c3cccnc3)n2)CC1=O.
What is the InChIKey of (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is VKTXJYUJVOPZNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-8-21-11-13(9-15(21)22)19-16-18-7-5-14(20-16)12-4-3-6-17-10-12/h3-7,10,13H,2,8-9,11H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one?
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 97444975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).