N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C18H26N4O2 — CID 46289963

IUPACN-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncnc3oc(C)c(C)c23)CC1
InChIInChI=1S/C18H26N4O2/c1-4-5-8-19-17(23)14-6-9-22(10-7-14)16-15-12(2)13(3)24-18(15)21-11-20-16/h11,14H,4-10H2,1-3H3,(H,19,23)
InChIKeyKLJCKGUORHLYIA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.97
Rot. Bonds5

About N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46289963) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46289963
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncnc3oc(C)c(C)c23)CC1
InChIInChI=1S/C18H26N4O2/c1-4-5-8-19-17(23)14-6-9-22(10-7-14)16-15-12(2)13(3)24-18(15)21-11-20-16/h11,14H,4-10H2,1-3H3,(H,19,23)
InChIKeyKLJCKGUORHLYIA-UHFFFAOYSA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 17756743
5,6-Dimethylfuro[2,3-d]pyrimidin-4-amine
CID 290219
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 20
CID 6539754
6-Methyl-4-(piperazin-1-yl)furo[2,3-d]pyrimidine
CID 46228435
N-[2-(4-morpholinyl)ethyl]-5,6-diphenyl-Furo[2,3-d]pyrimidin-4-amine
CID 1251356
(4-(5-Phenyl-4-(2-(piperazin-1-yl)ethylamino)furo[2,3-d]pyrimidin-6-yl)phenyl)(piperidin-1-yl)methanone
CID 11634876
N-(2-aminoethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 11236121
4-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-hydroxypropyl)butanamide
CID 662174
2-((4-Amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)thio)-1-(piperidin-1-yl)ethanone
CID 930864
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 952729
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 1887739
4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 1890403

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 46289963) is N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ncnc3oc(C)c(C)c23)CC1.
What is the InChIKey of N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KLJCKGUORHLYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-5-8-19-17(23)14-6-9-22(10-7-14)16-15-12(2)13(3)24-18(15)21-11-20-16/h11,14H,4-10H2,1-3H3,(H,19,23).
What are the key properties of N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46289963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).