2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide

C14H14N4O2 — CID 54852211

IUPAC2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
SMILESC=CCOc1ccccc1-c1cc(C(N)=O)nc(N)n1
InChIInChI=1S/C14H14N4O2/c1-2-7-20-12-6-4-3-5-9(12)10-8-11(13(15)19)18-14(16)17-10/h2-6,8H,1,7H2,(H2,15,19)(H2,16,17,18)
InChIKeyFKYGPQZAXZIUSK-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide

2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 54852211) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
PubChem CID54852211
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
SMILESC=CCOc1ccccc1-c1cc(C(N)=O)nc(N)n1
InChIInChI=1S/C14H14N4O2/c1-2-7-20-12-6-4-3-5-9(12)10-8-11(13(15)19)18-14(16)17-10/h2-6,8H,1,7H2,(H2,15,19)(H2,16,17,18)
InChIKeyFKYGPQZAXZIUSK-UHFFFAOYSA-N
XLogP1.39
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
ethyl 2-amino-6-[2-(2-methylprop-2-enoxy)phenyl]pyrimidine-4-carboxylate
CID 54850288
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole
CID 10404642
4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
CID 59788248
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
1-[5-(2-prop-2-enoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863570

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide (CID 54852211) is 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide is C=CCOc1ccccc1-c1cc(C(N)=O)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is FKYGPQZAXZIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-7-20-12-6-4-3-5-9(12)10-8-11(13(15)19)18-14(16)17-10/h2-6,8H,1,7H2,(H2,15,19)(H2,16,17,18).
What are the key properties of 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide?
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54852211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).