ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol

C15H29N3O3 — CID 144567976

IUPACethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol
SMILESCC.CCCCCCc1ncc(O)c(C(=O)NC)n1.CO
InChIInChI=1S/C12H19N3O2.C2H6.CH4O/c1-3-4-5-6-7-10-14-8-9(16)11(15-10)12(17)13-2;2*1-2/h8,16H,3-7H2,1-2H3,(H,13,17);1-2H3;2H,1H3
InChIKeyLATGKZCNWOTHGG-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.30
Rot. Bonds6

About ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol

ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol (PubChem CID 144567976) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol.

Molecular Properties

Compound Nameethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol
PubChem CID144567976
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nameethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol
SMILESCC.CCCCCCc1ncc(O)c(C(=O)NC)n1.CO
InChIInChI=1S/C12H19N3O2.C2H6.CH4O/c1-3-4-5-6-7-10-14-8-9(16)11(15-10)12(17)13-2;2*1-2/h8,16H,3-7H2,1-2H3,(H,13,17);1-2H3;2H,1H3
InChIKeyLATGKZCNWOTHGG-UHFFFAOYSA-N
XLogP2.30
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol?
The IUPAC name of ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol (CID 144567976) is ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol.
What is the SMILES notation for ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol?
The canonical SMILES for ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol is CC.CCCCCCc1ncc(O)c(C(=O)NC)n1.CO.
What is the InChIKey of ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol?
The InChIKey is LATGKZCNWOTHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C2H6.CH4O/c1-3-4-5-6-7-10-14-8-9(16)11(15-10)12(17)13-2;2*1-2/h8,16H,3-7H2,1-2H3,(H,13,17);1-2H3;2H,1H3.
What are the key properties of ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol?
ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol has a molecular weight of 299.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hexyl-5-hydroxy-N-methylpyrimidine-4-carboxamide;methanol is sourced from PubChem (CID 144567976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).