2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

C11H20N4O — CID 115366501

IUPAC2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1ncc(C)c(NCC(C)(C)CO)n1
InChIInChI=1S/C11H20N4O/c1-8-5-13-10(12-4)15-9(8)14-6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyDKIGLVIVXUTSKN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.26
Rot. Bonds5

About 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol

2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 115366501) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID115366501
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1ncc(C)c(NCC(C)(C)CO)n1
InChIInChI=1S/C11H20N4O/c1-8-5-13-10(12-4)15-9(8)14-6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyDKIGLVIVXUTSKN-UHFFFAOYSA-N
XLogP1.26
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296095
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179400
ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80789523
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 114157091
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 115366501) is 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is CNc1ncc(C)c(NCC(C)(C)CO)n1.
What is the InChIKey of 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is DKIGLVIVXUTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-5-13-10(12-4)15-9(8)14-6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 115366501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).