[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate

C23H28N6O4 — CID 11385446

IUPAC[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1
InChIInChI=1S/C23H28N6O4/c1-2-3-4-5-11-25-23(31)33-15-17-9-6-8-16(27-17)14-26-21(30)19-13-18(28-22(24)29-19)20-10-7-12-32-20/h6-10,12-13H,2-5,11,14-15H2,1H3,(H,25,31)(H,26,30)(H2,24,28,29)
InChIKeyAWAPTVUIGQHVTQ-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.45
Rot. Bonds11

About [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate

[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate (PubChem CID 11385446) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate.

Molecular Properties

Compound Name[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate
PubChem CID11385446
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1
InChIInChI=1S/C23H28N6O4/c1-2-3-4-5-11-25-23(31)33-15-17-9-6-8-16(27-17)14-26-21(30)19-13-18(28-22(24)29-19)20-10-7-12-32-20/h6-10,12-13H,2-5,11,14-15H2,1H3,(H,25,31)(H,26,30)(H2,24,28,29)
InChIKeyAWAPTVUIGQHVTQ-UHFFFAOYSA-N
XLogP3.45
TPSA145.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate with MolForge

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Related Compounds

2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11473907
2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022902
2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022894
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
CID 44520939
2-amino-6-(furan-2-yl)-N-[[(4Z)-5-methylidene-4-prop-2-enylidene-2-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 143092124
6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
CID 110331915
2-amino-6-(furan-2-yl)-N-[(3-propyl-2,4-dihydroimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 91064332
2-amino-6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 11416733
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
6-(furan-2-yl)-N-hexyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46515720

Frequently Asked Questions

What is the IUPAC name of [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate?
The IUPAC name of [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate (CID 11385446) is [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate.
What is the SMILES notation for [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate?
The canonical SMILES for [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate is CCCCCCNC(=O)OCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1.
What is the InChIKey of [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate?
The InChIKey is AWAPTVUIGQHVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-2-3-4-5-11-25-23(31)33-15-17-9-6-8-16(27-17)14-26-21(30)19-13-18(28-22(24)29-19)20-10-7-12-32-20/h6-10,12-13H,2-5,11,14-15H2,1H3,(H,25,31)(H,26,30)(H2,24,28,29).
What are the key properties of [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate?
[6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate has a molecular weight of 452.52 g/mol, XLogP of 3.45, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[[2-amino-6-(furan-2-yl)pyrimidine-4-carbonyl]amino]methyl]-2-pyridinyl]methyl N-hexylcarbamate is sourced from PubChem (CID 11385446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).