2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde

C18H31N3O2 — CID 123636880

IUPAC2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(N(C)C)nc(CCCCCCCCCCO)c1C=O
InChIInChI=1S/C18H31N3O2/c1-15-16(14-23)17(20-18(19-15)21(2)3)12-10-8-6-4-5-7-9-11-13-22/h14,22H,4-13H2,1-3H3
InChIKeyKGPJXWPXFFQMKC-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.32
Rot. Bonds12

About 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde

2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde (PubChem CID 123636880) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde
PubChem CID123636880
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(N(C)C)nc(CCCCCCCCCCO)c1C=O
InChIInChI=1S/C18H31N3O2/c1-15-16(14-23)17(20-18(19-15)21(2)3)12-10-8-6-4-5-7-9-11-13-22/h14,22H,4-13H2,1-3H3
InChIKeyKGPJXWPXFFQMKC-UHFFFAOYSA-N
XLogP3.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde (CID 123636880) is 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde is Cc1nc(N(C)C)nc(CCCCCCCCCCO)c1C=O.
What is the InChIKey of 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde?
The InChIKey is KGPJXWPXFFQMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15-16(14-23)17(20-18(19-15)21(2)3)12-10-8-6-4-5-7-9-11-13-22/h14,22H,4-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde?
2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde has a molecular weight of 321.46 g/mol, XLogP of 3.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(10-hydroxydecyl)-6-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 123636880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).