(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide

C13H23N5O2 — CID 136665307

IUPAC(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide
SMILESCC[C@@H](C)[C@H](NC)C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C13H23N5O2/c1-4-8(2)12(15-3)13(20)16-6-5-10-17-9(14)7-11(19)18-10/h7-8,12,15H,4-6H2,1-3H3,(H,16,20)(H3,14,17,18,19)/t8-,12+/m1/s1
InChIKeyKLGAWNRBJHUVNM-PELKAZGASA-N
MW281.36 g/mol
LogP-0.36
Rot. Bonds7

About (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide

(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide (PubChem CID 136665307) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide
PubChem CID136665307
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide
SMILESCC[C@@H](C)[C@H](NC)C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C13H23N5O2/c1-4-8(2)12(15-3)13(20)16-6-5-10-17-9(14)7-11(19)18-10/h7-8,12,15H,4-6H2,1-3H3,(H,16,20)(H3,14,17,18,19)/t8-,12+/m1/s1
InChIKeyKLGAWNRBJHUVNM-PELKAZGASA-N
XLogP-0.36
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide with MolForge

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Related Compounds

N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
(2S)-2-acetamido-4-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pentanamide
CID 121564567
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide
CID 137316163
N~2~-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-isoleucinamide
CID 74242020
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136233486
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-1-isopropyl-3-piperidinecarboxamide
CID 136249179
N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136713570
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713573
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 136782813
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 136782814

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide?
The IUPAC name of (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide (CID 136665307) is (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide?
The canonical SMILES for (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide is CC[C@@H](C)[C@H](NC)C(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide?
The InChIKey is KLGAWNRBJHUVNM-PELKAZGASA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-8(2)12(15-3)13(20)16-6-5-10-17-9(14)7-11(19)18-10/h7-8,12,15H,4-6H2,1-3H3,(H,16,20)(H3,14,17,18,19)/t8-,12+/m1/s1.
What are the key properties of (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide?
(2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide has a molecular weight of 281.36 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 136665307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).