2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 54852320

IUPAC2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide
SMILESCCCCCOc1ccc(-c2cc(C(N)=O)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-3-4-9-22-12-7-5-11(6-8-12)13-10-14(15(17)21)20-16(18)19-13/h5-8,10H,2-4,9H2,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyINZAPSQVRUNHBT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds7

About 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide

2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 54852320) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide
PubChem CID54852320
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide
SMILESCCCCCOc1ccc(-c2cc(C(N)=O)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-3-4-9-22-12-7-5-11(6-8-12)13-10-14(15(17)21)20-16(18)19-13/h5-8,10H,2-4,9H2,1H3,(H2,17,21)(H2,18,19,20)
InChIKeyINZAPSQVRUNHBT-UHFFFAOYSA-N
XLogP2.39
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
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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Related Compounds

2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
CID 54853940
ethyl 2-amino-6-(3-hexoxyphenyl)pyrimidine-4-carboxylate
CID 54850308
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-(4-heptoxyphenyl)pyrimidine-5-carboxamide
CID 14745788
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
(4-octoxyphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate
CID 15919171
2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852281
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
2-(4-butoxyphenoxy)acetamide
CID 22974475

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide (CID 54852320) is 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide is CCCCCOc1ccc(-c2cc(C(N)=O)nc(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is INZAPSQVRUNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-3-4-9-22-12-7-5-11(6-8-12)13-10-14(15(17)21)20-16(18)19-13/h5-8,10H,2-4,9H2,1H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide?
2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54852320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).