2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide

C16H20N4O — CID 43709265

IUPAC2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-3-11(2)14(17)16(21)20-13-9-18-15(19-10-13)12-7-5-4-6-8-12/h4-11,14H,3,17H2,1-2H3,(H,20,21)
InChIKeyIYKMPABIACJYHC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide

2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide (PubChem CID 43709265) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
PubChem CID43709265
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-3-11(2)14(17)16(21)20-13-9-18-15(19-10-13)12-7-5-4-6-8-12/h4-11,14H,3,17H2,1-2H3,(H,20,21)
InChIKeyIYKMPABIACJYHC-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709270
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
2-amino-N-(2-phenylpyrimidin-5-yl)hexanamide
CID 60854044
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide (CID 43709265) is 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide is CCC(C)C(N)C(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide?
The InChIKey is IYKMPABIACJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-11(2)14(17)16(21)20-13-9-18-15(19-10-13)12-7-5-4-6-8-12/h4-11,14H,3,17H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide?
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide is sourced from PubChem (CID 43709265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).