5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine

C24H30F2N6O2 — CID 122605335

IUPAC5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1cc(C)c(F)c(COc2cnc(Nc3cnn(CCC4CCN(C)CC4)c3)nc2)c1F
InChIInChI=1S/C24H30F2N6O2/c1-16-10-21(33-3)23(26)20(22(16)25)15-34-19-12-27-24(28-13-19)30-18-11-29-32(14-18)9-6-17-4-7-31(2)8-5-17/h10-14,17H,4-9,15H2,1-3H3,(H,27,28,30)
InChIKeyFHSAPBCBOOHPII-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.32
Rot. Bonds9

About 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine

5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 122605335) has the molecular formula C24H30F2N6O2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine
PubChem CID122605335
Molecular FormulaC24H30F2N6O2
Molecular Weight472.54 g/mol
Exact Mass472.24
IUPAC Name5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1cc(C)c(F)c(COc2cnc(Nc3cnn(CCC4CCN(C)CC4)c3)nc2)c1F
InChIInChI=1S/C24H30F2N6O2/c1-16-10-21(33-3)23(26)20(22(16)25)15-34-19-12-27-24(28-13-19)30-18-11-29-32(14-18)9-6-17-4-7-31(2)8-5-17/h10-14,17H,4-9,15H2,1-3H3,(H,27,28,30)
InChIKeyFHSAPBCBOOHPII-UHFFFAOYSA-N
XLogP4.32
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 122605333
N-[1-(azetidin-3-yl)pyrazol-4-yl]-5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-amine
CID 122605415
2-[4-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 122605422
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 122605480
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[3-methoxy-4-(1-methoxypiperidin-4-yl)phenyl]pyrimidin-2-amine
CID 129175227
3-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 90166230
3-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]benzoic acid
CID 122605515
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 122605373
2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol
CID 122605388
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 122605507
1-[5-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-one
CID 90163925
1-[4-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]-2-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidin-4-ol
CID 122605447

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine (CID 122605335) is 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine is COc1cc(C)c(F)c(COc2cnc(Nc3cnn(CCC4CCN(C)CC4)c3)nc2)c1F.
What is the InChIKey of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is FHSAPBCBOOHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6O2/c1-16-10-21(33-3)23(26)20(22(16)25)15-34-19-12-27-24(28-13-19)30-18-11-29-32(14-18)9-6-17-4-7-31(2)8-5-17/h10-14,17H,4-9,15H2,1-3H3,(H,27,28,30).
What are the key properties of 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine?
5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 472.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 122605335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).