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

C18H22FN5 — CID 112907570

IUPACN-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C18H22FN5/c1-13-12-17(22-18(20-13)21-15-4-5-15)24-10-8-23(9-11-24)16-6-2-14(19)3-7-16/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,20,21,22)
InChIKeyCVCHRQNKWRZGGA-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.83
Rot. Bonds4

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

N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 112907570) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID112907570
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC NameN-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C18H22FN5/c1-13-12-17(22-18(20-13)21-15-4-5-15)24-10-8-23(9-11-24)16-6-2-14(19)3-7-16/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,20,21,22)
InChIKeyCVCHRQNKWRZGGA-UHFFFAOYSA-N
XLogP2.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585
2-[[2-(cyclopropylamino)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 141058637
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194079
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112941659
N-cyclohexyl-4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-amine
CID 53049012
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112922320
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]azepane
CID 112922347
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
(3Z)-1-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]thiourea
CID 21383432
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 112907570) is N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is CVCHRQNKWRZGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5/c1-13-12-17(22-18(20-13)21-15-4-5-15)24-10-8-23(9-11-24)16-6-2-14(19)3-7-16/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,20,21,22).
What are the key properties of N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 327.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112907570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).