6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine

C21H23FN6 — CID 19147854

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccccc1Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1N
InChIInChI=1S/C21H23FN6/c1-15-6-2-4-8-17(15)26-20-19(23)21(25-14-24-20)28-12-10-27(11-13-28)18-9-5-3-7-16(18)22/h2-9,14H,10-13,23H2,1H3,(H,24,25,26)
InChIKeyCTCLGPBRRYHBJB-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.58
Rot. Bonds4

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine

6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 19147854) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
PubChem CID19147854
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccccc1Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1N
InChIInChI=1S/C21H23FN6/c1-15-6-2-4-8-17(15)26-20-19(23)21(25-14-24-20)28-12-10-27(11-13-28)18-9-5-3-7-16(18)22/h2-9,14H,10-13,23H2,1H3,(H,24,25,26)
InChIKeyCTCLGPBRRYHBJB-UHFFFAOYSA-N
XLogP3.58
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147855
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
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
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
4-N-(2-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19145227
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine (CID 19147854) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine is Cc1ccccc1Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1N.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is CTCLGPBRRYHBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/c1-15-6-2-4-8-17(15)26-20-19(23)21(25-14-24-20)28-12-10-27(11-13-28)18-9-5-3-7-16(18)22/h2-9,14H,10-13,23H2,1H3,(H,24,25,26).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine?
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 378.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19147854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).