6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine

C23H22FN7 — CID 19144818

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc3cccnc23)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H22FN7/c24-17-7-1-2-9-19(17)30-11-13-31(14-12-30)23-20(25)22(27-15-28-23)29-18-8-3-5-16-6-4-10-26-21(16)18/h1-10,15H,11-14,25H2,(H,27,28,29)
InChIKeyRJGQUQZWLVVPQN-UHFFFAOYSA-N
MW415.48 g/mol
LogP3.82
Rot. Bonds4

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine

6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine (PubChem CID 19144818) has the molecular formula C23H22FN7 and a molecular weight of 415.48 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
PubChem CID19144818
Molecular FormulaC23H22FN7
Molecular Weight415.48 g/mol
Exact Mass415.19
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc3cccnc23)ncnc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H22FN7/c24-17-7-1-2-9-19(17)30-11-13-31(14-12-30)23-20(25)22(27-15-28-23)29-18-8-3-5-16-6-4-10-26-21(16)18/h1-10,15H,11-14,25H2,(H,27,28,29)
InChIKeyRJGQUQZWLVVPQN-UHFFFAOYSA-N
XLogP3.82
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147854
4-(2,2-dimethylhydrazinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19145631
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
4-N-(2-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19145227
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19153457
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144853

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine (CID 19144818) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine is Nc1c(Nc2cccc3cccnc23)ncnc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
The InChIKey is RJGQUQZWLVVPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7/c24-17-7-1-2-9-19(17)30-11-13-31(14-12-30)23-20(25)22(27-15-28-23)29-18-8-3-5-16-6-4-10-26-21(16)18/h1-10,15H,11-14,25H2,(H,27,28,29).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine?
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine has a molecular weight of 415.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19144818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).