1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

C14H26N4O2 — CID 75524466

IUPAC1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cc(N(C)CC(C)(C)O)ncn1
InChIInChI=1S/C14H26N4O2/c1-13(2,19)8-17(5)11-7-12(16-10-15-11)18(6)9-14(3,4)20/h7,10,19-20H,8-9H2,1-6H3
InChIKeyBOZIDALXJMZPHW-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.89
Rot. Bonds6

About 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 75524466) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID75524466
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cc(N(C)CC(C)(C)O)ncn1
InChIInChI=1S/C14H26N4O2/c1-13(2,19)8-17(5)11-7-12(16-10-15-11)18(6)9-14(3,4)20/h7,10,19-20H,8-9H2,1-6H3
InChIKeyBOZIDALXJMZPHW-UHFFFAOYSA-N
XLogP0.89
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (CID 75524466) is 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1cc(N(C)CC(C)(C)O)ncn1.
What is the InChIKey of 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is BOZIDALXJMZPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-13(2,19)8-17(5)11-7-12(16-10-15-11)18(6)9-14(3,4)20/h7,10,19-20H,8-9H2,1-6H3.
What are the key properties of 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 75524466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).