1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine

C18H21FN4O — CID 16676309

IUPAC1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
SMILESFc1cccc(C2(NCc3cnc(N4CCOCC4)nc3)CC2)c1
InChIInChI=1S/C18H21FN4O/c19-16-3-1-2-15(10-16)18(4-5-18)22-13-14-11-20-17(21-12-14)23-6-8-24-9-7-23/h1-3,10-12,22H,4-9,13H2
InChIKeyOVKRXRBCVZQONF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine

1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine (PubChem CID 16676309) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
PubChem CID16676309
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
SMILESFc1cccc(C2(NCc3cnc(N4CCOCC4)nc3)CC2)c1
InChIInChI=1S/C18H21FN4O/c19-16-3-1-2-15(10-16)18(4-5-18)22-13-14-11-20-17(21-12-14)23-6-8-24-9-7-23/h1-3,10-12,22H,4-9,13H2
InChIKeyOVKRXRBCVZQONF-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine (CID 16676309) is 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine is Fc1cccc(C2(NCc3cnc(N4CCOCC4)nc3)CC2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is OVKRXRBCVZQONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-3-1-2-15(10-16)18(4-5-18)22-13-14-11-20-17(21-12-14)23-6-8-24-9-7-23/h1-3,10-12,22H,4-9,13H2.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine?
1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 328.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 16676309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).