[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol

C14H20N4O2 — CID 116802655

IUPAC[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(Oc2cnn(C(C)C)c2)c(CO)n1
InChIInChI=1S/C14H20N4O2/c1-9(2)14-15-6-13(12(8-19)17-14)20-11-5-16-18(7-11)10(3)4/h5-7,9-10,19H,8H2,1-4H3
InChIKeySJMQHJSDUAPXLZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.66
Rot. Bonds5

About [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol

[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol (PubChem CID 116802655) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
PubChem CID116802655
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(Oc2cnn(C(C)C)c2)c(CO)n1
InChIInChI=1S/C14H20N4O2/c1-9(2)14-15-6-13(12(8-19)17-14)20-11-5-16-18(7-11)10(3)4/h5-7,9-10,19H,8H2,1-4H3
InChIKeySJMQHJSDUAPXLZ-UHFFFAOYSA-N
XLogP2.66
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

((10aS,13aS)-3-isopropyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-5,9-(azeno)furo[3,4-k]pyrazolo[4,3-b][1]oxa[4,6,10]triazacyclotridecin-1-yl)methanol
CID 170396468
5-[(1-methyl-1H-pyrazol-4-yl)oxy]-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 113564524
[5-[[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-[[(3S)-oxolan-3-yl]methoxy]-1-propan-2-ylpyrazol-3-yl]methanol
CID 170591793
[5-[[4-Amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-cyclobutyl-4-(oxolan-3-ylmethoxy)pyrazol-3-yl]methanol
CID 170591817
[5-[[4-Amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-(cyclobutylmethoxy)-1-propan-2-ylpyrazol-3-yl]methanol
CID 170591833
[5-[[4-Amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-(oxolan-3-ylmethoxy)-1-propan-2-ylpyrazol-3-yl]methanol
CID 170591867
[2-Propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol
CID 55032702
[2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol
CID 62088688
[2-Propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol
CID 66274831
[5-(2,2-Difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 82007405
[2-Propan-2-yl-5-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]methanol
CID 82788277
[2-Propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol
CID 82954942

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol (CID 116802655) is [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol is CC(C)c1ncc(Oc2cnn(C(C)C)c2)c(CO)n1.
What is the InChIKey of [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol?
The InChIKey is SJMQHJSDUAPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)14-15-6-13(12(8-19)17-14)20-11-5-16-18(7-11)10(3)4/h5-7,9-10,19H,8H2,1-4H3.
What are the key properties of [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol?
[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol is sourced from PubChem (CID 116802655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).