[4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C18H21F3N6O — CID 138053640

IUPAC[4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(C1CCC(Nc2ncccn2)CC1)N1CCn2cnc(C(F)(F)F)c2C1
InChIInChI=1S/C18H21F3N6O/c19-18(20,21)15-14-10-26(8-9-27(14)11-24-15)16(28)12-2-4-13(5-3-12)25-17-22-6-1-7-23-17/h1,6-7,11-13H,2-5,8-10H2,(H,22,23,25)
InChIKeyPFKNOUVWZXBNTG-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.70
Rot. Bonds3

About [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 138053640) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID138053640
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name[4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(C1CCC(Nc2ncccn2)CC1)N1CCn2cnc(C(F)(F)F)c2C1
InChIInChI=1S/C18H21F3N6O/c19-18(20,21)15-14-10-26(8-9-27(14)11-24-15)16(28)12-2-4-13(5-3-12)25-17-22-6-1-7-23-17/h1,6-7,11-13H,2-5,8-10H2,(H,22,23,25)
InChIKeyPFKNOUVWZXBNTG-UHFFFAOYSA-N
XLogP2.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 138053640) is [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is O=C(C1CCC(Nc2ncccn2)CC1)N1CCn2cnc(C(F)(F)F)c2C1.
What is the InChIKey of [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is PFKNOUVWZXBNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c19-18(20,21)15-14-10-26(8-9-27(14)11-24-15)16(28)12-2-4-13(5-3-12)25-17-22-6-1-7-23-17/h1,6-7,11-13H,2-5,8-10H2,(H,22,23,25).
What are the key properties of [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 394.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrimidin-2-ylamino)cyclohexyl]-[1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 138053640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).