4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

C14H12N4O3 — CID 83567625

IUPAC4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESNc1nc(-c2ccco2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C14H12N4O3/c15-12-10(14(19)17-7-9-3-1-5-20-9)8-16-13(18-12)11-4-2-6-21-11/h1-6,8H,7H2,(H,17,19)(H2,15,16,18)
InChIKeyYEIPUEJCXCAIMA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 83567625) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID83567625
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESNc1nc(-c2ccco2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C14H12N4O3/c15-12-10(14(19)17-7-9-3-1-5-20-9)8-16-13(18-12)11-4-2-6-21-11/h1-6,8H,7H2,(H,17,19)(H2,15,16,18)
InChIKeyYEIPUEJCXCAIMA-UHFFFAOYSA-N
XLogP1.84
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 142609116
4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 83567628
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42670141
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838
5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (CID 83567625) is 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is Nc1nc(-c2ccco2)ncc1C(=O)NCc1ccco1.
What is the InChIKey of 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is YEIPUEJCXCAIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-12-10(14(19)17-7-9-3-1-5-20-9)8-16-13(18-12)11-4-2-6-21-11/h1-6,8H,7H2,(H,17,19)(H2,15,16,18).
What are the key properties of 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 83567625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).