(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol

C11H14N4O — CID 103431364

IUPAC(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccn(C)n2)ncc1[C@@H](C)O
InChIInChI=1S/C11H14N4O/c1-7-9(8(2)16)6-12-11(13-7)10-4-5-15(3)14-10/h4-6,8,16H,1-3H3/t8-/m1/s1
InChIKeyNFRKDGBVZBLSMI-MRVPVSSYSA-N
MW218.26 g/mol
LogP1.24
Rot. Bonds2

About (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol

(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol (PubChem CID 103431364) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
PubChem CID103431364
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccn(C)n2)ncc1[C@@H](C)O
InChIInChI=1S/C11H14N4O/c1-7-9(8(2)16)6-12-11(13-7)10-4-5-15(3)14-10/h4-6,8,16H,1-3H3/t8-/m1/s1
InChIKeyNFRKDGBVZBLSMI-MRVPVSSYSA-N
XLogP1.24
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol (CID 103431364) is (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol is Cc1nc(-c2ccn(C)n2)ncc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol?
The InChIKey is NFRKDGBVZBLSMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-9(8(2)16)6-12-11(13-7)10-4-5-15(3)14-10/h4-6,8,16H,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol?
(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).