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

C17H20FN5 — CID 112854724

IUPACN-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccc(N2CCN(c3cc(NC4CC4)ncn3)CC2)cc1
InChIInChI=1S/C17H20FN5/c18-13-1-5-15(6-2-13)22-7-9-23(10-8-22)17-11-16(19-12-20-17)21-14-3-4-14/h1-2,5-6,11-12,14H,3-4,7-10H2,(H,19,20,21)
InChIKeyZFYONVJTDAEQJA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.52
Rot. Bonds4

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

N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112854724) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112854724
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC NameN-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESFc1ccc(N2CCN(c3cc(NC4CC4)ncn3)CC2)cc1
InChIInChI=1S/C17H20FN5/c18-13-1-5-15(6-2-13)22-7-9-23(10-8-22)17-11-16(19-12-20-17)21-14-3-4-14/h1-2,5-6,11-12,14H,3-4,7-10H2,(H,19,20,21)
InChIKeyZFYONVJTDAEQJA-UHFFFAOYSA-N
XLogP2.52
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 115416249
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134706665

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112854724) is N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Fc1ccc(N2CCN(c3cc(NC4CC4)ncn3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is ZFYONVJTDAEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c18-13-1-5-15(6-2-13)22-7-9-23(10-8-22)17-11-16(19-12-20-17)21-14-3-4-14/h1-2,5-6,11-12,14H,3-4,7-10H2,(H,19,20,21).
What are the key properties of N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 313.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112854724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).