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

C21H24FN7 — CID 10363176

IUPAC5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCNCC3)cn2)ncc1CCc1ccc(F)cc1
InChIInChI=1S/C21H24FN7/c22-17-5-2-15(3-6-17)1-4-16-13-26-21(28-20(16)23)27-19-8-7-18(14-25-19)29-11-9-24-10-12-29/h2-3,5-8,13-14,24H,1,4,9-12H2,(H3,23,25,26,27,28)
InChIKeyNMBYDGAUMFFDCC-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.53
Rot. Bonds6

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

5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 10363176) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
PubChem CID10363176
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCNCC3)cn2)ncc1CCc1ccc(F)cc1
InChIInChI=1S/C21H24FN7/c22-17-5-2-15(3-6-17)1-4-16-13-26-21(28-20(16)23)27-19-8-7-18(14-25-19)29-11-9-24-10-12-29/h2-3,5-8,13-14,24H,1,4,9-12H2,(H3,23,25,26,27,28)
InChIKeyNMBYDGAUMFFDCC-UHFFFAOYSA-N
XLogP2.53
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-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

5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinolin-3-ylpyrimidin-2-amine
CID 172786362
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549
5-fluoro-4-(8-fluoro-1-methyl-4-propan-2-yl-2,3-dihydroquinoxalin-6-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
CID 166121076
7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine
CID 176913883
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 175064913

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine (CID 10363176) is 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(N3CCNCC3)cn2)ncc1CCc1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is NMBYDGAUMFFDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7/c22-17-5-2-15(3-6-17)1-4-16-13-26-21(28-20(16)23)27-19-8-7-18(14-25-19)29-11-9-24-10-12-29/h2-3,5-8,13-14,24H,1,4,9-12H2,(H3,23,25,26,27,28).
What are the key properties of 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine?
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 393.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10363176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).