2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C16H15N5O2 — CID 109303262

IUPAC2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C16H15N5O2/c22-15(19-10-12-3-1-6-17-9-12)14-5-7-18-16(21-14)20-11-13-4-2-8-23-13/h1-9H,10-11H2,(H,19,22)(H,18,20,21)
InChIKeyAALAUUTYCJJUAC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.01
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303262) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303262
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C16H15N5O2/c22-15(19-10-12-3-1-6-17-9-12)14-5-7-18-16(21-14)20-11-13-4-2-8-23-13/h1-9H,10-11H2,(H,19,22)(H,18,20,21)
InChIKeyAALAUUTYCJJUAC-UHFFFAOYSA-N
XLogP2.01
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109303262) is 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is AALAUUTYCJJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(19-10-12-3-1-6-17-9-12)14-5-7-18-16(21-14)20-11-13-4-2-8-23-13/h1-9H,10-11H2,(H,19,22)(H,18,20,21).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).