1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C12H22N4O — CID 80958659

IUPAC1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCC(C)c1nc(N)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H22N4O/c1-8(2)11-14-9(13)6-10(15-11)16(5)7-12(3,4)17/h6,8,17H,7H2,1-5H3,(H2,13,14,15)
InChIKeyMUIBVADXHMRZGR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.39
Rot. Bonds4

About 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80958659) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80958659
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCC(C)c1nc(N)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H22N4O/c1-8(2)11-14-9(13)6-10(15-11)16(5)7-12(3,4)17/h6,8,17H,7H2,1-5H3,(H2,13,14,15)
InChIKeyMUIBVADXHMRZGR-UHFFFAOYSA-N
XLogP1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80958659) is 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CC(C)c1nc(N)cc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is MUIBVADXHMRZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)11-14-9(13)6-10(15-11)16(5)7-12(3,4)17/h6,8,17H,7H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80958659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).