6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide

C13H18N4O2 — CID 109339622

IUPAC6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C13H18N4O2/c1-2-5-14-13(18)11-7-12(17-9-16-11)15-8-10-4-3-6-19-10/h2,7,9-10H,1,3-6,8H2,(H,14,18)(H,15,16,17)
InChIKeyRZAALEPVNZPBQO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.98
Rot. Bonds6

About 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide

6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339622) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339622
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C13H18N4O2/c1-2-5-14-13(18)11-7-12(17-9-16-11)15-8-10-4-3-6-19-10/h2,7,9-10H,1,3-6,8H2,(H,14,18)(H,15,16,17)
InChIKeyRZAALEPVNZPBQO-UHFFFAOYSA-N
XLogP0.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.98
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

N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710
6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891
morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109343521
N-(3-fluorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343844
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930
N-(2-methoxyphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343813

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339622) is 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is RZAALEPVNZPBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-5-14-13(18)11-7-12(17-9-16-11)15-8-10-4-3-6-19-10/h2,7,9-10H,1,3-6,8H2,(H,14,18)(H,15,16,17).
What are the key properties of 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).