2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate

C16H30N4O2 — CID 174832631

IUPAC2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate
SMILESCCCCCc1cnc(NC(=O)C(N)CC(C)C)nc1C.O
InChIInChI=1S/C16H28N4O.H2O/c1-5-6-7-8-13-10-18-16(19-12(13)4)20-15(21)14(17)9-11(2)3;/h10-11,14H,5-9,17H2,1-4H3,(H,18,19,20,21);1H2
InChIKeyYJUBYLGZIAEFSB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.00
Rot. Bonds8

About 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate

2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate (PubChem CID 174832631) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate.

Molecular Properties

Compound Name2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate
PubChem CID174832631
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate
SMILESCCCCCc1cnc(NC(=O)C(N)CC(C)C)nc1C.O
InChIInChI=1S/C16H28N4O.H2O/c1-5-6-7-8-13-10-18-16(19-12(13)4)20-15(21)14(17)9-11(2)3;/h10-11,14H,5-9,17H2,1-4H3,(H,18,19,20,21);1H2
InChIKeyYJUBYLGZIAEFSB-UHFFFAOYSA-N
XLogP2.00
TPSA112.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-5-pentylpyrimidin-2-amine
CID 63549616
N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 103278974
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
(2R)-2-amino-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 83618000
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 61252272
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate?
The IUPAC name of 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate (CID 174832631) is 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate.
What is the SMILES notation for 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate?
The canonical SMILES for 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate is CCCCCc1cnc(NC(=O)C(N)CC(C)C)nc1C.O.
What is the InChIKey of 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate?
The InChIKey is YJUBYLGZIAEFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.H2O/c1-5-6-7-8-13-10-18-16(19-12(13)4)20-15(21)14(17)9-11(2)3;/h10-11,14H,5-9,17H2,1-4H3,(H,18,19,20,21);1H2.
What are the key properties of 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate?
2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate has a molecular weight of 310.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate is sourced from PubChem (CID 174832631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).