[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol

C19H22N6O — CID 91795425

IUPAC[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
SMILESCNc1cc(C)nc(N2CCn3nc(C(O)c4ccccc4)cc3C2)n1
InChIInChI=1S/C19H22N6O/c1-13-10-17(20-2)22-19(21-13)24-8-9-25-15(12-24)11-16(23-25)18(26)14-6-4-3-5-7-14/h3-7,10-11,18,26H,8-9,12H2,1-2H3,(H,20,21,22)
InChIKeyQJHQXPFWVRIMDA-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.13
Rot. Bonds4

About [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol

[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol (PubChem CID 91795425) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
PubChem CID91795425
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
SMILESCNc1cc(C)nc(N2CCn3nc(C(O)c4ccccc4)cc3C2)n1
InChIInChI=1S/C19H22N6O/c1-13-10-17(20-2)22-19(21-13)24-8-9-25-15(12-24)11-16(23-25)18(26)14-6-4-3-5-7-14/h3-7,10-11,18,26H,8-9,12H2,1-2H3,(H,20,21,22)
InChIKeyQJHQXPFWVRIMDA-UHFFFAOYSA-N
XLogP2.13
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99974743
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
(S)-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
CID 99994599
1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 91785151
3-ethylsulfanyl-1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 90649418
(6S)-1-benzyl-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-1,4-diazepan-6-ol
CID 97278299
2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-phenylethanol
CID 91835285
phenyl-[5-[(E)-3-phenylprop-2-enyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90650546
1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031763
[2-[(R)-hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126445172
(2S)-1-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 41129335
1-[5-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91796587

Frequently Asked Questions

What is the IUPAC name of [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The IUPAC name of [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol (CID 91795425) is [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol.
What is the SMILES notation for [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The canonical SMILES for [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol is CNc1cc(C)nc(N2CCn3nc(C(O)c4ccccc4)cc3C2)n1.
What is the InChIKey of [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The InChIKey is QJHQXPFWVRIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-10-17(20-2)22-19(21-13)24-8-9-25-15(12-24)11-16(23-25)18(26)14-6-4-3-5-7-14/h3-7,10-11,18,26H,8-9,12H2,1-2H3,(H,20,21,22).
What are the key properties of [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol has a molecular weight of 350.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol is sourced from PubChem (CID 91795425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).