(2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol

C13H21N3O2 — CID 97121453

IUPAC(2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol
SMILESO[C@H](CNc1ncccn1)COC1CCCCC1
InChIInChI=1S/C13H21N3O2/c17-11(9-16-13-14-7-4-8-15-13)10-18-12-5-2-1-3-6-12/h4,7-8,11-12,17H,1-3,5-6,9-10H2,(H,14,15,16)/t11-/m1/s1
InChIKeyZSBBTHNHRSRWRD-LLVKDONJSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds6

About (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol

(2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol (PubChem CID 97121453) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol
PubChem CID97121453
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol
SMILESO[C@H](CNc1ncccn1)COC1CCCCC1
InChIInChI=1S/C13H21N3O2/c17-11(9-16-13-14-7-4-8-15-13)10-18-12-5-2-1-3-6-12/h4,7-8,11-12,17H,1-3,5-6,9-10H2,(H,14,15,16)/t11-/m1/s1
InChIKeyZSBBTHNHRSRWRD-LLVKDONJSA-N
XLogP1.60
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol (CID 97121453) is (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol is O[C@H](CNc1ncccn1)COC1CCCCC1.
What is the InChIKey of (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol?
The InChIKey is ZSBBTHNHRSRWRD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-11(9-16-13-14-7-4-8-15-13)10-18-12-5-2-1-3-6-12/h4,7-8,11-12,17H,1-3,5-6,9-10H2,(H,14,15,16)/t11-/m1/s1.
What are the key properties of (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol?
(2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyloxy-3-(pyrimidin-2-ylamino)propan-2-ol is sourced from PubChem (CID 97121453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).