1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C11H20N4O2 — CID 64828925

IUPAC1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccnc(N(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-14(2)11-12-6-5-10(13-11)15(3)7-9(16)8-17-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyJJTWBKCORDWEQJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.01
Rot. Bonds6

About 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 64828925) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID64828925
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccnc(N(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-14(2)11-12-6-5-10(13-11)15(3)7-9(16)8-17-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyJJTWBKCORDWEQJ-UHFFFAOYSA-N
XLogP-0.01
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80811340
4-N-(2-chloro-3-methoxypropyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64828548
1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol
CID 78955195
1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 75443197
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carbothioamide
CID 54998776
1-[(2-hydroxy-3-methoxypropyl)-methylamino]isoquinolin-7-ol
CID 106541431
1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
1-methoxy-3-[methyl-(4-methylquinolin-2-yl)amino]propan-2-ol
CID 71996713
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]propane-1,2-diol
CID 75398484
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 64828925) is 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccnc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is JJTWBKCORDWEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14(2)11-12-6-5-10(13-11)15(3)7-9(16)8-17-4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 240.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 64828925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).