[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine

C14H16FN3 — CID 114206046

IUPAC[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
SMILESCCc1nc(Cc2ccccc2F)ncc1CN
InChIInChI=1S/C14H16FN3/c1-2-13-11(8-16)9-17-14(18-13)7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8,16H2,1H3
InChIKeyIBKQEDUBWPDMGM-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.23
Rot. Bonds4

About [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine

[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine (PubChem CID 114206046) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
PubChem CID114206046
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
SMILESCCc1nc(Cc2ccccc2F)ncc1CN
InChIInChI=1S/C14H16FN3/c1-2-13-11(8-16)9-17-14(18-13)7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8,16H2,1H3
InChIKeyIBKQEDUBWPDMGM-UHFFFAOYSA-N
XLogP2.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine (CID 114206046) is [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine is CCc1nc(Cc2ccccc2F)ncc1CN.
What is the InChIKey of [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine?
The InChIKey is IBKQEDUBWPDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-13-11(8-16)9-17-14(18-13)7-10-5-3-4-6-12(10)15/h3-6,9H,2,7-8,16H2,1H3.
What are the key properties of [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine?
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).