N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide

C11H14N4O — CID 109295911

IUPACN-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NCC=C)n1
InChIInChI=1S/C11H14N4O/c1-3-6-12-10(16)9-5-8-14-11(15-9)13-7-4-2/h3-5,8H,1-2,6-7H2,(H,12,16)(H,13,14,15)
InChIKeyDLWRFSMBUBWPEA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.99
Rot. Bonds6

About N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide

N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109295911) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109295911
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NCC=C)n1
InChIInChI=1S/C11H14N4O/c1-3-6-12-10(16)9-5-8-14-11(15-9)13-7-4-2/h3-5,8H,1-2,6-7H2,(H,12,16)(H,13,14,15)
InChIKeyDLWRFSMBUBWPEA-UHFFFAOYSA-N
XLogP0.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295989
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295966
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-[2-(2,4-dichlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295997
2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296133
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
N-(3-chloro-4-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296032
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243
N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
2,3-dihydroindol-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109296005
(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295994

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109295911) is N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNC(=O)c1ccnc(NCC=C)n1.
What is the InChIKey of N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is DLWRFSMBUBWPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-6-12-10(16)9-5-8-14-11(15-9)13-7-4-2/h3-5,8H,1-2,6-7H2,(H,12,16)(H,13,14,15).
What are the key properties of N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).