2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide

C19H24N4O2 — CID 109252554

IUPAC2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C19H24N4O2/c24-18(20-10-4-8-15-6-2-1-3-7-15)16-12-21-19(22-13-16)23-14-17-9-5-11-25-17/h1-3,6-7,12-13,17H,4-5,8-11,14H2,(H,20,24)(H,21,22,23)
InChIKeyRWPCHKOPPUDHOO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds8

About 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide

2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide (PubChem CID 109252554) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
PubChem CID109252554
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C19H24N4O2/c24-18(20-10-4-8-15-6-2-1-3-7-15)16-12-21-19(22-13-16)23-14-17-9-5-11-25-17/h1-3,6-7,12-13,17H,4-5,8-11,14H2,(H,20,24)(H,21,22,23)
InChIKeyRWPCHKOPPUDHOO-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

N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
6-[[(2S)-oxolan-2-yl]methoxy]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 124725193

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide (CID 109252554) is 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide is O=C(NCCCc1ccccc1)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The InChIKey is RWPCHKOPPUDHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(20-10-4-8-15-6-2-1-3-7-15)16-12-21-19(22-13-16)23-14-17-9-5-11-25-17/h1-3,6-7,12-13,17H,4-5,8-11,14H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-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 2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).