(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C27H39N5O4 — CID 26200566

IUPAC(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)c(=O)[nH]c1=O
InChIInChI=1S/C27H39N5O4/c1-6-8-13-30-24(28)23(25(34)29-27(30)36)32(15-17(3)4)26(35)19-14-22(33)31(16-19)21-12-10-9-11-20(21)18(5)7-2/h9-12,17-19H,6-8,13-16,28H2,1-5H3,(H,29,34,36)/t18-,19+/m1/s1
InChIKeySDDILAGKBVJZTR-MOPGFXCFSA-N
MW497.64 g/mol
LogP3.47
Rot. Bonds10

About (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 26200566) has the molecular formula C27H39N5O4 and a molecular weight of 497.64 g/mol. Its IUPAC name is (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID26200566
Molecular FormulaC27H39N5O4
Molecular Weight497.64 g/mol
Exact Mass497.30
IUPAC Name(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)c(=O)[nH]c1=O
InChIInChI=1S/C27H39N5O4/c1-6-8-13-30-24(28)23(25(34)29-27(30)36)32(15-17(3)4)26(35)19-14-22(33)31(16-19)21-12-10-9-11-20(21)18(5)7-2/h9-12,17-19H,6-8,13-16,28H2,1-5H3,(H,29,34,36)/t18-,19+/m1/s1
InChIKeySDDILAGKBVJZTR-MOPGFXCFSA-N
XLogP3.47
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 43024714
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 26200543
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059539
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22108588
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 42999728
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 39911259
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42916348
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 25163328
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 26200566) is (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)c(=O)[nH]c1=O.
What is the InChIKey of (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SDDILAGKBVJZTR-MOPGFXCFSA-N. The full InChI is InChI=1S/C27H39N5O4/c1-6-8-13-30-24(28)23(25(34)29-27(30)36)32(15-17(3)4)26(35)19-14-22(33)31(16-19)21-12-10-9-11-20(21)18(5)7-2/h9-12,17-19H,6-8,13-16,28H2,1-5H3,(H,29,34,36)/t18-,19+/m1/s1.
What are the key properties of (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26200566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).