2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

C16H22N4O2 — CID 59022894

IUPAC2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1
InChIInChI=1S/C16H22N4O2/c1-3-4-5-6-9-18-15(21)13-10-12(19-16(17)20-13)14-8-7-11(2)22-14/h7-8,10H,3-6,9H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyBUWGJEMIYHUXPO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.94
Rot. Bonds7

About 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 59022894) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID59022894
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1
InChIInChI=1S/C16H22N4O2/c1-3-4-5-6-9-18-15(21)13-10-12(19-16(17)20-13)14-8-7-11(2)22-14/h7-8,10H,3-6,9H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyBUWGJEMIYHUXPO-UHFFFAOYSA-N
XLogP2.94
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.94
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-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 44520978
N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 42759616
2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 44520985
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate
CID 11385446
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 59022894) is 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is CCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1.
What is the InChIKey of 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is BUWGJEMIYHUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-4-5-6-9-18-15(21)13-10-12(19-16(17)20-13)14-8-7-11(2)22-14/h7-8,10H,3-6,9H2,1-2H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59022894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).