trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol

C12H20N4O — CID 50961909

IUPACtrans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCNc1ccnc(N[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C12H20N4O/c1-2-13-11-7-8-14-12(16-11)15-9-5-3-4-6-10(9)17/h7-10,17H,2-6H2,1H3,(H2,13,14,15,16)/t9-,10-/m0/s1
InChIKeyNGOZMJMTJKIDHT-UWVGGRQHSA-N
MW236.32 g/mol
LogP1.62
Rot. Bonds4

About trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 50961909) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID50961909
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Nametrans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCNc1ccnc(N[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C12H20N4O/c1-2-13-11-7-8-14-12(16-11)15-9-5-3-4-6-10(9)17/h7-10,17H,2-6H2,1H3,(H2,13,14,15,16)/t9-,10-/m0/s1
InChIKeyNGOZMJMTJKIDHT-UWVGGRQHSA-N
XLogP1.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 50961909) is trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol is CCNc1ccnc(N[C@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NGOZMJMTJKIDHT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-13-11-7-8-14-12(16-11)15-9-5-3-4-6-10(9)17/h7-10,17H,2-6H2,1H3,(H2,13,14,15,16)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 50961909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).