(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol

C14H22N2O — CID 102210149

IUPAC(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)c1cnc(/C=C\C(C)(C)C)nc1
InChIInChI=1S/C14H22N2O/c1-10(2)13(17)11-8-15-12(16-9-11)6-7-14(3,4)5/h6-10,13,17H,1-5H3/b7-6-/t13-/m1/s1
InChIKeyHWWYGHQYFAOULH-FMFIFOJESA-N
MW234.34 g/mol
LogP3.23
Rot. Bonds3

About (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol

(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol (PubChem CID 102210149) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol
PubChem CID102210149
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)c1cnc(/C=C\C(C)(C)C)nc1
InChIInChI=1S/C14H22N2O/c1-10(2)13(17)11-8-15-12(16-9-11)6-7-14(3,4)5/h6-10,13,17H,1-5H3/b7-6-/t13-/m1/s1
InChIKeyHWWYGHQYFAOULH-FMFIFOJESA-N
XLogP3.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol (CID 102210149) is (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol is CC(C)[C@@H](O)c1cnc(/C=C\C(C)(C)C)nc1.
What is the InChIKey of (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol?
The InChIKey is HWWYGHQYFAOULH-FMFIFOJESA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(17)11-8-15-12(16-9-11)6-7-14(3,4)5/h6-10,13,17H,1-5H3/b7-6-/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol?
(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 102210149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).