4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

C20H26FN5O — CID 19153689

IUPAC4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1c(OC2CCCCC2)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H26FN5O/c21-16-8-4-5-9-17(16)25-10-12-26(13-11-25)19-18(22)20(24-14-23-19)27-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13,22H2
InChIKeyUWQMSHWBBVKDQX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.24
Rot. Bonds4

About 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine

4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 19153689) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID19153689
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
SMILESNc1c(OC2CCCCC2)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H26FN5O/c21-16-8-4-5-9-17(16)25-10-12-26(13-11-25)19-18(22)20(24-14-23-19)27-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13,22H2
InChIKeyUWQMSHWBBVKDQX-UHFFFAOYSA-N
XLogP3.24
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137416
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138505
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
methyl 1-(5-amino-6-cyclohexyloxypyrimidin-4-yl)piperidine-4-carboxylate
CID 19154024
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19145631
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19153457
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147854
4-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 22537250
5-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575715
2-cyclopentyloxy-3-fluoropyridine
CID 126955068

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine (CID 19153689) is 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is Nc1c(OC2CCCCC2)ncnc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is UWQMSHWBBVKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-16-8-4-5-9-17(16)25-10-12-26(13-11-25)19-18(22)20(24-14-23-19)27-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13,22H2.
What are the key properties of 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine?
4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 371.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 19153689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).