2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol

C15H23N5O2 — CID 133404922

IUPAC2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
SMILESCOCc1cc(Nc2cnn(CCO)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5O2/c1-15(2,3)14-18-11(10-22-4)7-13(19-14)17-12-8-16-20(9-12)5-6-21/h7-9,21H,5-6,10H2,1-4H3,(H,17,18,19)
InChIKeyABQVNNFDSTUUTE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.85
Rot. Bonds6

About 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol

2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 133404922) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
PubChem CID133404922
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
SMILESCOCc1cc(Nc2cnn(CCO)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5O2/c1-15(2,3)14-18-11(10-22-4)7-13(19-14)17-12-8-16-20(9-12)5-6-21/h7-9,21H,5-6,10H2,1-4H3,(H,17,18,19)
InChIKeyABQVNNFDSTUUTE-UHFFFAOYSA-N
XLogP1.85
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol (CID 133404922) is 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol is COCc1cc(Nc2cnn(CCO)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
The InChIKey is ABQVNNFDSTUUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-15(2,3)14-18-11(10-22-4)7-13(19-14)17-12-8-16-20(9-12)5-6-21/h7-9,21H,5-6,10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 305.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133404922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).