5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H12N4O — CID 3233460

IUPAC5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18)
InChIKeyUYNFBWJVKAADQH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.74
Rot. Bonds4

About 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3233460) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3233460
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18)
InChIKeyUYNFBWJVKAADQH-UHFFFAOYSA-N
XLogP2.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
3-(Furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319015
4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206993
N-[5-(furan-3-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240123
N-[5-(furan-2-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240160
4-amino-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
CID 142609112
N-[2-[[5-(furan-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 155415442
4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 166628404

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3233460) is 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is c1cncc(CNc2ncncc2-c2ccoc2)c1.
What is the InChIKey of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UYNFBWJVKAADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18).
What are the key properties of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).