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

C20H22FN7 — CID 19153457

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)nc1
InChIInChI=1S/C20H22FN7/c1-14-6-7-17(23-12-14)26-19-18(22)20(25-13-24-19)28-10-8-27(9-11-28)16-5-3-2-4-15(16)21/h2-7,12-13H,8-11,22H2,1H3,(H,23,24,25,26)
InChIKeyKPWFRPICUCUDJV-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.97
Rot. Bonds4

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

6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19153457) has the molecular formula C20H22FN7 and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19153457
Molecular FormulaC20H22FN7
Molecular Weight379.44 g/mol
Exact Mass379.19
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)nc1
InChIInChI=1S/C20H22FN7/c1-14-6-7-17(23-12-14)26-19-18(22)20(25-13-24-19)28-10-8-27(9-11-28)16-5-3-2-4-15(16)21/h2-7,12-13H,8-11,22H2,1H3,(H,23,24,25,26)
InChIKeyKPWFRPICUCUDJV-UHFFFAOYSA-N
XLogP2.97
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144818
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216
4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137200
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
6-(2,2-diphenylhydrazinyl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19146654

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine (CID 19153457) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)nc1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is KPWFRPICUCUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7/c1-14-6-7-17(23-12-14)26-19-18(22)20(25-13-24-19)28-10-8-27(9-11-28)16-5-3-2-4-15(16)21/h2-7,12-13H,8-11,22H2,1H3,(H,23,24,25,26).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 379.44 g/mol, XLogP of 2.97, 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-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19153457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).