N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine

C14H14FN3 — CID 116898661

IUPACN-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESFc1ccccc1-c1ccnc(CNC2CC2)n1
InChIInChI=1S/C14H14FN3/c15-12-4-2-1-3-11(12)13-7-8-16-14(18-13)9-17-10-5-6-10/h1-4,7-8,10,17H,5-6,9H2
InChIKeyFEDYZBVUXDVMCU-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.53
Rot. Bonds4

About N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine

N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine (PubChem CID 116898661) has the molecular formula C14H14FN3 and a molecular weight of 243.29 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
PubChem CID116898661
Molecular FormulaC14H14FN3
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC NameN-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESFc1ccccc1-c1ccnc(CNC2CC2)n1
InChIInChI=1S/C14H14FN3/c15-12-4-2-1-3-11(12)13-7-8-16-14(18-13)9-17-10-5-6-10/h1-4,7-8,10,17H,5-6,9H2
InChIKeyFEDYZBVUXDVMCU-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine (CID 116898661) is N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine is Fc1ccccc1-c1ccnc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
The InChIKey is FEDYZBVUXDVMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c15-12-4-2-1-3-11(12)13-7-8-16-14(18-13)9-17-10-5-6-10/h1-4,7-8,10,17H,5-6,9H2.
What are the key properties of N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine has a molecular weight of 243.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116898661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).