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

C9H17N5O — CID 80778887

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCNc1cc(NC(C)(C)CO)nc(N)n1
InChIInChI=1S/C9H17N5O/c1-9(2,5-15)14-7-4-6(11-3)12-8(10)13-7/h4,15H,5H2,1-3H3,(H4,10,11,12,13,14)
InChIKeyIKOLRQZKOKYQOO-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.28
Rot. Bonds4

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

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 80778887) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID80778887
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCNc1cc(NC(C)(C)CO)nc(N)n1
InChIInChI=1S/C9H17N5O/c1-9(2,5-15)14-7-4-6(11-3)12-8(10)13-7/h4,15H,5H2,1-3H3,(H4,10,11,12,13,14)
InChIKeyIKOLRQZKOKYQOO-UHFFFAOYSA-N
XLogP0.28
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855657
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80768145
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 115409505
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol (CID 80778887) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol is CNc1cc(NC(C)(C)CO)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is IKOLRQZKOKYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,5-15)14-7-4-6(11-3)12-8(10)13-7/h4,15H,5H2,1-3H3,(H4,10,11,12,13,14).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 211.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80778887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).