4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol

C13H22N4O2 — CID 81131568

IUPAC4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCC(C)c1nc(N)cc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-16-10(14)7-11(17-12)15-8-13(18)3-5-19-6-4-13/h7,9,18H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyPIBGVECEGFRTHU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.14
Rot. Bonds4

About 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 81131568) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID81131568
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCC(C)c1nc(N)cc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-16-10(14)7-11(17-12)15-8-13(18)3-5-19-6-4-13/h7,9,18H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyPIBGVECEGFRTHU-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103286
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132043
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280606
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959178
1-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 106772295
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102696

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 81131568) is 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol is CC(C)c1nc(N)cc(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is PIBGVECEGFRTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)12-16-10(14)7-11(17-12)15-8-13(18)3-5-19-6-4-13/h7,9,18H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 266.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81131568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).