2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

C15H26N4O — CID 102640178

IUPAC2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(N)nc(C(C)(C)C)n1)C1CCCCC1O
InChIInChI=1S/C15H26N4O/c1-15(2,3)14-17-12(16)9-13(18-14)19(4)10-7-5-6-8-11(10)20/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyLTSNNHVYFUPVDS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.10
Rot. Bonds2

About 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102640178) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102640178
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(N)nc(C(C)(C)C)n1)C1CCCCC1O
InChIInChI=1S/C15H26N4O/c1-15(2,3)14-17-12(16)9-13(18-14)19(4)10-7-5-6-8-11(10)20/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyLTSNNHVYFUPVDS-UHFFFAOYSA-N
XLogP2.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (CID 102640178) is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1cc(N)nc(C(C)(C)C)n1)C1CCCCC1O.
What is the InChIKey of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is LTSNNHVYFUPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)14-17-12(16)9-13(18-14)19(4)10-7-5-6-8-11(10)20/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).