4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol

C20H25N3O2 — CID 118468030

IUPAC4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
SMILESCc1ncc(C2CCC(O)CC2)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C20H25N3O2/c1-13-22-11-18(14-5-7-16(24)8-6-14)20(23-13)25-12-15-10-17(15)19-4-2-3-9-21-19/h2-4,9,11,14-17,24H,5-8,10,12H2,1H3/t14?,15-,16?,17+/m1/s1
InChIKeyHHXYCMOXYXWESQ-MYBQVCMBSA-N
MW339.44 g/mol
LogP3.38
Rot. Bonds5

About 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol

4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol (PubChem CID 118468030) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
PubChem CID118468030
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
SMILESCc1ncc(C2CCC(O)CC2)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C20H25N3O2/c1-13-22-11-18(14-5-7-16(24)8-6-14)20(23-13)25-12-15-10-17(15)19-4-2-3-9-21-19/h2-4,9,11,14-17,24H,5-8,10,12H2,1H3/t14?,15-,16?,17+/m1/s1
InChIKeyHHXYCMOXYXWESQ-MYBQVCMBSA-N
XLogP3.38
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol (CID 118468030) is 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol is Cc1ncc(C2CCC(O)CC2)c(OC[C@H]2C[C@@H]2c2ccccn2)n1.
What is the InChIKey of 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
The InChIKey is HHXYCMOXYXWESQ-MYBQVCMBSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-22-11-18(14-5-7-16(24)8-6-14)20(23-13)25-12-15-10-17(15)19-4-2-3-9-21-19/h2-4,9,11,14-17,24H,5-8,10,12H2,1H3/t14?,15-,16?,17+/m1/s1.
What are the key properties of 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 118468030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).