trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol

C13H22N4O2 — CID 50983066

IUPACtrans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCC(C)Oc1cc(N[C@H]2CCCC[C@@H]2O)nc(N)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)19-12-7-11(16-13(14)17-12)15-9-5-3-4-6-10(9)18/h7-10,18H,3-6H2,1-2H3,(H3,14,15,16,17)/t9-,10-/m0/s1
InChIKeyHUAWRPWWSUINQP-UWVGGRQHSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds4

About trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 50983066) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID50983066
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametrans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCC(C)Oc1cc(N[C@H]2CCCC[C@@H]2O)nc(N)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)19-12-7-11(16-13(14)17-12)15-9-5-3-4-6-10(9)18/h7-10,18H,3-6H2,1-2H3,(H3,14,15,16,17)/t9-,10-/m0/s1
InChIKeyHUAWRPWWSUINQP-UWVGGRQHSA-N
XLogP1.56
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol (CID 50983066) is trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol is CC(C)Oc1cc(N[C@H]2CCCC[C@@H]2O)nc(N)n1.
What is the InChIKey of trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is HUAWRPWWSUINQP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)19-12-7-11(16-13(14)17-12)15-9-5-3-4-6-10(9)18/h7-10,18H,3-6H2,1-2H3,(H3,14,15,16,17)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 50983066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).