N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C19H24N4O2 — CID 109343930

IUPACN-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C19H24N4O2/c24-19(21-13-16-9-5-11-25-16)17-12-18(23-14-22-17)20-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,21,24)(H,20,22,23)
InChIKeyBGJDKZSCGWBSCA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109343930) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109343930
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C19H24N4O2/c24-19(21-13-16-9-5-11-25-16)17-12-18(23-14-22-17)20-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,21,24)(H,20,22,23)
InChIKeyBGJDKZSCGWBSCA-UHFFFAOYSA-N
XLogP2.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
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

6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343842
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109343930) is N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(NCCCc2ccccc2)ncn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is BGJDKZSCGWBSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(21-13-16-9-5-11-25-16)17-12-18(23-14-22-17)20-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,21,24)(H,20,22,23).
What are the key properties of N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).