(1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol

C15H23N3O2 — CID 123876672

IUPAC(1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
SMILESC[C@H]1C[C@@H](Oc2cc(NC3CCCC3)ncn2)C[C@@H]1O
InChIInChI=1S/C15H23N3O2/c1-10-6-12(7-13(10)19)20-15-8-14(16-9-17-15)18-11-4-2-3-5-11/h8-13,19H,2-7H2,1H3,(H,16,17,18)/t10-,12+,13-/m0/s1
InChIKeyAPVPBVRIXGMDII-UHTWSYAYSA-N
MW277.37 g/mol
LogP2.37
Rot. Bonds4

About (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol

(1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol (PubChem CID 123876672) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
PubChem CID123876672
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
SMILESC[C@H]1C[C@@H](Oc2cc(NC3CCCC3)ncn2)C[C@@H]1O
InChIInChI=1S/C15H23N3O2/c1-10-6-12(7-13(10)19)20-15-8-14(16-9-17-15)18-11-4-2-3-5-11/h8-13,19H,2-7H2,1H3,(H,16,17,18)/t10-,12+,13-/m0/s1
InChIKeyAPVPBVRIXGMDII-UHTWSYAYSA-N
XLogP2.37
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 123989145
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CID 155237583
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CID 159874601
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CID 161149630
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CID 173950034
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CID 65837693
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CID 66319700
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CID 66319701
CID 66319701

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol (CID 123876672) is (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol is C[C@H]1C[C@@H](Oc2cc(NC3CCCC3)ncn2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
The InChIKey is APVPBVRIXGMDII-UHTWSYAYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-6-12(7-13(10)19)20-15-8-14(16-9-17-15)18-11-4-2-3-5-11/h8-13,19H,2-7H2,1H3,(H,16,17,18)/t10-,12+,13-/m0/s1.
What are the key properties of (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol?
(1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[6-(cyclopentylamino)pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol is sourced from PubChem (CID 123876672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).