2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol

C20H24FN7O — CID 69234321

IUPAC2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
SMILESCC(Nc1nc(NCCO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN7O/c1-12(13-4-6-15(21)7-5-13)23-20-25-17(22-8-9-29)11-18(26-20)24-19-10-16(27-28-19)14-2-3-14/h4-7,10-12,14,29H,2-3,8-9H2,1H3,(H4,22,23,24,25,26,27,28)
InChIKeyJFVXGSYGQADIBY-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.54
Rot. Bonds9

About 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol

2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol (PubChem CID 69234321) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
PubChem CID69234321
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
SMILESCC(Nc1nc(NCCO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN7O/c1-12(13-4-6-15(21)7-5-13)23-20-25-17(22-8-9-29)11-18(26-20)24-19-10-16(27-28-19)14-2-3-14/h4-7,10-12,14,29H,2-3,8-9H2,1H3,(H4,22,23,24,25,26,27,28)
InChIKeyJFVXGSYGQADIBY-UHFFFAOYSA-N
XLogP3.54
TPSA110.78 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[1-(4-fluorophenyl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethanol
CID 69186816
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
7-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
CID 68898803
2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol
CID 71272621
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine
CID 86613147
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148
3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]amino]propan-1-ol
CID 68901137
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carbaldehyde
CID 86620610
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
CID 67478872
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 67478851
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 91230883
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 137351326

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol (CID 69234321) is 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol is CC(Nc1nc(NCCO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol?
The InChIKey is JFVXGSYGQADIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-12(13-4-6-15(21)7-5-13)23-20-25-17(22-8-9-29)11-18(26-20)24-19-10-16(27-28-19)14-2-3-14/h4-7,10-12,14,29H,2-3,8-9H2,1H3,(H4,22,23,24,25,26,27,28).
What are the key properties of 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol?
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol has a molecular weight of 397.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 69234321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).