N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide

C15H24N4O2 — CID 109300934

IUPACN-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C15H24N4O2/c1-2-3-4-8-16-15-17-9-7-13(19-15)14(20)18-11-12-6-5-10-21-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyGMPALBAJKPOIIZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.99
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide

N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109300934) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109300934
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C15H24N4O2/c1-2-3-4-8-16-15-17-9-7-13(19-15)14(20)18-11-12-6-5-10-21-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyGMPALBAJKPOIIZ-UHFFFAOYSA-N
XLogP1.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.99
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

2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300998
2-[(3,4-dimethoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300914
2-(2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300951
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301029
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide (CID 109300934) is N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1nccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is GMPALBAJKPOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-4-8-16-15-17-9-7-13(19-15)14(20)18-11-12-6-5-10-21-12/h7,9,12H,2-6,8,10-11H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.99, 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)-2-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).