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

C12H20N4O2 — CID 136664961

IUPAC(2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-3-4-9(13)12(18)14-6-5-10-15-8(2)7-11(17)16-10/h7,9H,3-6,13H2,1-2H3,(H,14,18)(H,15,16,17)/t9-/m0/s1
InChIKeyFJJHZAXPRUSDMG-VIFPVBQESA-N
MW252.32 g/mol
LogP-0.14
Rot. Bonds6

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

(2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide (PubChem CID 136664961) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide
PubChem CID136664961
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-3-4-9(13)12(18)14-6-5-10-15-8(2)7-11(17)16-10/h7,9H,3-6,13H2,1-2H3,(H,14,18)(H,15,16,17)/t9-/m0/s1
InChIKeyFJJHZAXPRUSDMG-VIFPVBQESA-N
XLogP-0.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide (CID 136664961) is (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide is CCC[C@H](N)C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide?
The InChIKey is FJJHZAXPRUSDMG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-4-9(13)12(18)14-6-5-10-15-8(2)7-11(17)16-10/h7,9H,3-6,13H2,1-2H3,(H,14,18)(H,15,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide?
(2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide has a molecular weight of 252.32 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pentanamide is sourced from PubChem (CID 136664961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).