[(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol

C18H22N2O — CID 67282071

IUPAC[(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol
SMILESCc1ncc(CC[C@]2(c3ccccc3)C[C@H]2CO)c(C)n1
InChIInChI=1S/C18H22N2O/c1-13-15(11-19-14(2)20-13)8-9-18(10-17(18)12-21)16-6-4-3-5-7-16/h3-7,11,17,21H,8-10,12H2,1-2H3/t17-,18+/m0/s1
InChIKeyKFEBGARXKGLCPW-ZWKOTPCHSA-N
MW282.39 g/mol
LogP2.98
Rot. Bonds5

About [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol

[(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol (PubChem CID 67282071) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol
PubChem CID67282071
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol
SMILESCc1ncc(CC[C@]2(c3ccccc3)C[C@H]2CO)c(C)n1
InChIInChI=1S/C18H22N2O/c1-13-15(11-19-14(2)20-13)8-9-18(10-17(18)12-21)16-6-4-3-5-7-16/h3-7,11,17,21H,8-10,12H2,1-2H3/t17-,18+/m0/s1
InChIKeyKFEBGARXKGLCPW-ZWKOTPCHSA-N
XLogP2.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}ethanol
CID 11160875
[1-{[2-(3-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191448
[1-{[2-(2-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16189183
(3-(2-Methylbenzyl)-1-{[2-(3-methylphenyl)pyrimidin-5-yl]methyl}piperidin-3-yl)methanol
CID 16190933
{3-(2-Fluorobenzyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 56748960
{1-(5,6-Dimethylpyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56758079
4-Tert-butyl-2-methyl-5-phenylpyrimidine
CID 12450601
4-Tert-butyl-2,5-diphenylpyrimidine
CID 12450603
[1-(5-Isopropylpyrimidin-4-yl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 56739359
3-[(6-Cyclopropylpyrimidin-4-YL)(methyl)amino]-1-phenylpropan-1-OL
CID 72849739
[1-(2-Methylpyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 56749029
[1-[[[2-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]methyl]cyclohexyl]methanol
CID 68312333

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol (CID 67282071) is [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol is Cc1ncc(CC[C@]2(c3ccccc3)C[C@H]2CO)c(C)n1.
What is the InChIKey of [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol?
The InChIKey is KFEBGARXKGLCPW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-15(11-19-14(2)20-13)8-9-18(10-17(18)12-21)16-6-4-3-5-7-16/h3-7,11,17,21H,8-10,12H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol?
[(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol has a molecular weight of 282.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[2-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-phenylcyclopropyl]methanol is sourced from PubChem (CID 67282071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).