(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol

C16H20N2O — CID 103431527

IUPAC(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C(C)(C)c2ccccc2)ncc1[C@H](C)O
InChIInChI=1S/C16H20N2O/c1-11-14(12(2)19)10-17-15(18-11)16(3,4)13-8-6-5-7-9-13/h5-10,12,19H,1-4H3/t12-/m0/s1
InChIKeyFGYGIFJUPQKSKZ-LBPRGKRZSA-N
MW256.35 g/mol
LogP3.16
Rot. Bonds3

About (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol

(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol (PubChem CID 103431527) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol
PubChem CID103431527
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C(C)(C)c2ccccc2)ncc1[C@H](C)O
InChIInChI=1S/C16H20N2O/c1-11-14(12(2)19)10-17-15(18-11)16(3,4)13-8-6-5-7-9-13/h5-10,12,19H,1-4H3/t12-/m0/s1
InChIKeyFGYGIFJUPQKSKZ-LBPRGKRZSA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol (CID 103431527) is (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol is Cc1nc(C(C)(C)c2ccccc2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol?
The InChIKey is FGYGIFJUPQKSKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-14(12(2)19)10-17-15(18-11)16(3,4)13-8-6-5-7-9-13/h5-10,12,19H,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol?
(1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol has a molecular weight of 256.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(2-phenylpropan-2-yl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).