5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C21H27FN8 — CID 155548206

IUPAC5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)c1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)cnn1C
InChIInChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27)
InChIKeyUKSFDLFTRMYZGG-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.03
Rot. Bonds5

About 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 155548206) has the molecular formula C21H27FN8 and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID155548206
Molecular FormulaC21H27FN8
Molecular Weight410.50 g/mol
Exact Mass410.23
IUPAC Name5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)c1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)cnn1C
InChIInChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27)
InChIKeyUKSFDLFTRMYZGG-UHFFFAOYSA-N
XLogP3.03
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine 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

Riociguat
CID 11304743
Avapritinib
CID 118023034
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
SB-220025
CID 5164
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Nelociguat
CID 11690019
VK-19911
CID 9797240
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 155548206) is 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is CC(C)c1c(-c2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2F)cnn1C.
What is the InChIKey of 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is UKSFDLFTRMYZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27).
What are the key properties of 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 410.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).