1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol

C14H14N2O — CID 84790978

IUPAC1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol
SMILESCc1ccccc1-c1ncc(C2(O)CC2)cn1
InChIInChI=1S/C14H14N2O/c1-10-4-2-3-5-12(10)13-15-8-11(9-16-13)14(17)6-7-14/h2-5,8-9,17H,6-7H2,1H3
InChIKeyKGMPHTOQWODXRR-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.43
Rot. Bonds2

About 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol

1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol (PubChem CID 84790978) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol
PubChem CID84790978
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol
SMILESCc1ccccc1-c1ncc(C2(O)CC2)cn1
InChIInChI=1S/C14H14N2O/c1-10-4-2-3-5-12(10)13-15-8-11(9-16-13)14(17)6-7-14/h2-5,8-9,17H,6-7H2,1H3
InChIKeyKGMPHTOQWODXRR-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
CID 84782300
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol
CID 156651418
5-(2,2-dimethylpropanoyl)-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170395
4,5-dimethyl-2-(2-methylphenyl)-1H-imidazole-4,5-diol
CID 45093598
4-methyl-5-(2-methylphenyl)pyridin-2-amine
CID 79729422
2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207088
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
2-methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]butan-2-ol
CID 155494598
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol (CID 84790978) is 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol is Cc1ccccc1-c1ncc(C2(O)CC2)cn1.
What is the InChIKey of 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol?
The InChIKey is KGMPHTOQWODXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-4-2-3-5-12(10)13-15-8-11(9-16-13)14(17)6-7-14/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol?
1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 84790978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).