(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H21FN4O — CID 146080413

IUPAC(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H21FN4O/c1-13-12-16(22-18(21-13)14-6-7-14)19(25)24-10-8-23(9-11-24)17-5-3-2-4-15(17)20/h2-5,12,14H,6-11H2,1H3
InChIKeyVNSWTJIESWWCFC-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.76
Rot. Bonds3

About (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 146080413) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID146080413
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H21FN4O/c1-13-12-16(22-18(21-13)14-6-7-14)19(25)24-10-8-23(9-11-24)17-5-3-2-4-15(17)20/h2-5,12,14H,6-11H2,1H3
InChIKeyVNSWTJIESWWCFC-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323148
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
[6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362934
(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154854125
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 171148554
(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154583892
[4-(2-fluorophenyl)piperazin-1-yl]-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361222
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 146080413) is (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nc(C2CC2)n1.
What is the InChIKey of (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VNSWTJIESWWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-12-16(22-18(21-13)14-6-7-14)19(25)24-10-8-23(9-11-24)17-5-3-2-4-15(17)20/h2-5,12,14H,6-11H2,1H3.
What are the key properties of (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146080413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).