2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide

C16H20N4O2 — CID 54850497

IUPAC2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
SMILESCCCCOc1ccc(-c2nc(N)nc(C)c2C(N)=O)cc1
InChIInChI=1S/C16H20N4O2/c1-3-4-9-22-12-7-5-11(6-8-12)14-13(15(17)21)10(2)19-16(18)20-14/h5-8H,3-4,9H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKeyLWPLKNSJWAIANU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.31
Rot. Bonds6

About 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide

2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide (PubChem CID 54850497) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
PubChem CID54850497
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
SMILESCCCCOc1ccc(-c2nc(N)nc(C)c2C(N)=O)cc1
InChIInChI=1S/C16H20N4O2/c1-3-4-9-22-12-7-5-11(6-8-12)14-13(15(17)21)10(2)19-16(18)20-14/h5-8H,3-4,9H2,1-2H3,(H2,17,21)(H2,18,19,20)
InChIKeyLWPLKNSJWAIANU-UHFFFAOYSA-N
XLogP2.31
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
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 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide (CID 54850497) is 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide is CCCCOc1ccc(-c2nc(N)nc(C)c2C(N)=O)cc1.
What is the InChIKey of 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide?
The InChIKey is LWPLKNSJWAIANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-4-9-22-12-7-5-11(6-8-12)14-13(15(17)21)10(2)19-16(18)20-14/h5-8H,3-4,9H2,1-2H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide?
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).