2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol

C20H18F2N6O — CID 138561694

IUPAC2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cncnc3)cn12
InChIInChI=1S/C20H18F2N6O/c1-11-3-4-13(20(2,29)19(21)22)5-14(11)16-8-26-18-17(23)27-15(9-28(16)18)12-6-24-10-25-7-12/h3-10,19,29H,1-2H3,(H2,23,27)
InChIKeyYJQYZDDVSHYRLY-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.22
Rot. Bonds4

About 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol

2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 138561694) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol
PubChem CID138561694
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cncnc3)cn12
InChIInChI=1S/C20H18F2N6O/c1-11-3-4-13(20(2,29)19(21)22)5-14(11)16-8-26-18-17(23)27-15(9-28(16)18)12-6-24-10-25-7-12/h3-10,19,29H,1-2H3,(H2,23,27)
InChIKeyYJQYZDDVSHYRLY-UHFFFAOYSA-N
XLogP3.22
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

TP003
CID 10001434
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol?
The IUPAC name of 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol (CID 138561694) is 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cncnc3)cn12.
What is the InChIKey of 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol?
The InChIKey is YJQYZDDVSHYRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-11-3-4-13(20(2,29)19(21)22)5-14(11)16-8-26-18-17(23)27-15(9-28(16)18)12-6-24-10-25-7-12/h3-10,19,29H,1-2H3,(H2,23,27).
What are the key properties of 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol?
2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 396.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-amino-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-3-yl)-4-methylphenyl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 138561694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).