(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide

C11H18N4O3 — CID 125161861

IUPAC(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-2-3-4-8(12)10(17)13-5-7-6-14-11(18)15-9(7)16/h6,8H,2-5,12H2,1H3,(H,13,17)(H2,14,15,16,18)/t8-/m0/s1
InChIKeyIWAHDDPMNPIKNA-QMMMGPOBSA-N
MW254.29 g/mol
LogP-0.80
Rot. Bonds6

About (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide

(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide (PubChem CID 125161861) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide
PubChem CID125161861
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-2-3-4-8(12)10(17)13-5-7-6-14-11(18)15-9(7)16/h6,8H,2-5,12H2,1H3,(H,13,17)(H2,14,15,16,18)/t8-/m0/s1
InChIKeyIWAHDDPMNPIKNA-QMMMGPOBSA-N
XLogP-0.80
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2-(benzimidazol-1-yl)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]propanamide
CID 99974414
2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
CID 61212479
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide (CID 125161861) is (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide is CCCC[C@H](N)C(=O)NCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide?
The InChIKey is IWAHDDPMNPIKNA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-3-4-8(12)10(17)13-5-7-6-14-11(18)15-9(7)16/h6,8H,2-5,12H2,1H3,(H,13,17)(H2,14,15,16,18)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide?
(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide has a molecular weight of 254.29 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide is sourced from PubChem (CID 125161861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).