3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C14H25N5O — CID 167147029

IUPAC3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(C)(C)Nc1ncc(N)c(NC2CCCC(O)C2)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)19-13-16-8-11(15)12(18-13)17-9-5-4-6-10(20)7-9/h8-10,20H,4-7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyCNVOGZLFSYVQQX-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.98
Rot. Bonds3

About 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 167147029) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID167147029
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(C)(C)Nc1ncc(N)c(NC2CCCC(O)C2)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)19-13-16-8-11(15)12(18-13)17-9-5-4-6-10(20)7-9/h8-10,20H,4-7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyCNVOGZLFSYVQQX-UHFFFAOYSA-N
XLogP1.98
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 167147029) is 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CC(C)(C)Nc1ncc(N)c(NC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is CNVOGZLFSYVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)19-13-16-8-11(15)12(18-13)17-9-5-4-6-10(20)7-9/h8-10,20H,4-7,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 167147029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).