5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

C16H14ClN3O — CID 3233813

IUPAC5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-20(10-12-5-4-8-21-12)16-14(9-18-11-19-16)13-6-2-3-7-15(13)17/h2-9,11H,10H2,1H3
InChIKeyMSDMFDCUCAYBKZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.03
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 3233813) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID3233813
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-20(10-12-5-4-8-21-12)16-14(9-18-11-19-16)13-6-2-3-7-15(13)17/h2-9,11H,10H2,1H3
InChIKeyMSDMFDCUCAYBKZ-UHFFFAOYSA-N
XLogP4.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 3233813) is 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccco1)c1ncncc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is MSDMFDCUCAYBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20(10-12-5-4-8-21-12)16-14(9-18-11-19-16)13-6-2-3-7-15(13)17/h2-9,11H,10H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3233813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).