(2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide

C16H25N5O3 — CID 56706783

IUPAC(2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H25N5O3/c1-4-18-15(23)13-8-12(17)9-21(13)14(22)5-6-20-11(3)7-10(2)19-16(20)24/h7,12-13H,4-6,8-9,17H2,1-3H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyRCURIGYTKJDRCR-OLZOCXBDSA-N
MW335.41 g/mol
LogP-0.69
Rot. Bonds5

About (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 56706783) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID56706783
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C16H25N5O3/c1-4-18-15(23)13-8-12(17)9-21(13)14(22)5-6-20-11(3)7-10(2)19-16(20)24/h7,12-13H,4-6,8-9,17H2,1-3H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyRCURIGYTKJDRCR-OLZOCXBDSA-N
XLogP-0.69
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylpropyl)-2-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 100055639
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 56901883
(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
CID 145488244
(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
CID 145488365
(3S)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077633
(3R)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077635
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 45208527
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]piperidine-3-carboxamide
CID 46995964
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50978045
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 52396721

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide (CID 56706783) is (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is RCURIGYTKJDRCR-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-4-18-15(23)13-8-12(17)9-21(13)14(22)5-6-20-11(3)7-10(2)19-16(20)24/h7,12-13H,4-6,8-9,17H2,1-3H3,(H,18,23)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56706783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).