1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

C11H20BrN5O — CID 106150117

IUPAC1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCNc1ncc(Br)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C11H20BrN5O/c1-11(18,7-17(3)4)6-15-9-8(12)5-14-10(13-2)16-9/h5,18H,6-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyYVYQUKBIHDZPKW-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.01
Rot. Bonds6

About 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106150117) has the molecular formula C11H20BrN5O and a molecular weight of 318.22 g/mol. Its IUPAC name is 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106150117
Molecular FormulaC11H20BrN5O
Molecular Weight318.22 g/mol
Exact Mass317.09
IUPAC Name1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCNc1ncc(Br)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C11H20BrN5O/c1-11(18,7-17(3)4)6-15-9-8(12)5-14-10(13-2)16-9/h5,18H,6-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyYVYQUKBIHDZPKW-UHFFFAOYSA-N
XLogP1.01
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106150117) is 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is CNc1ncc(Br)c(NCC(C)(O)CN(C)C)n1.
What is the InChIKey of 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is YVYQUKBIHDZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5O/c1-11(18,7-17(3)4)6-15-9-8(12)5-14-10(13-2)16-9/h5,18H,6-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 318.22 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106150117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).