6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

C14H13N5O — CID 3233868

IUPAC6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccoc3)ncn2)cn1
InChIInChI=1S/C14H13N5O/c1-10-5-16-12(6-15-10)7-17-14-4-13(18-9-19-14)11-2-3-20-8-11/h2-6,8-9H,7H2,1H3,(H,17,18,19)
InChIKeyOBABLOVAFDRFJH-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.45
Rot. Bonds4

About 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 3233868) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
PubChem CID3233868
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccoc3)ncn2)cn1
InChIInChI=1S/C14H13N5O/c1-10-5-16-12(6-15-10)7-17-14-4-13(18-9-19-14)11-2-3-20-8-11/h2-6,8-9H,7H2,1H3,(H,17,18,19)
InChIKeyOBABLOVAFDRFJH-UHFFFAOYSA-N
XLogP2.45
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (CID 3233868) is 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(-c3ccoc3)ncn2)cn1.
What is the InChIKey of 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is OBABLOVAFDRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-10-5-16-12(6-15-10)7-17-14-4-13(18-9-19-14)11-2-3-20-8-11/h2-6,8-9H,7H2,1H3,(H,17,18,19).
What are the key properties of 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3233868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).