1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

C11H20N4O2 — CID 80811552

IUPAC1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1nc(C)cc(N(C)CC(O)COC)n1
InChIInChI=1S/C11H20N4O2/c1-8-5-10(14-11(12-2)13-8)15(3)6-9(16)7-17-4/h5,9,16H,6-7H2,1-4H3,(H,12,13,14)
InChIKeyBOQCJUJRDYYJGA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.27
Rot. Bonds6

About 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80811552) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80811552
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1nc(C)cc(N(C)CC(O)COC)n1
InChIInChI=1S/C11H20N4O2/c1-8-5-10(14-11(12-2)13-8)15(3)6-9(16)7-17-4/h5,9,16H,6-7H2,1-4H3,(H,12,13,14)
InChIKeyBOQCJUJRDYYJGA-UHFFFAOYSA-N
XLogP0.27
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779921
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
4-N-(2,2-dimethylpropyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80819241
2-[2-methoxyethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 113468505
1-methoxy-3-[methyl-(4-methylquinolin-2-yl)amino]propan-2-ol
CID 71996713
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 75443197
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
2-N,4-N,6-trimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80764020
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053895
2-hydrazinyl-N-(2-methoxyethyl)-N,6-dimethylpyrimidin-4-amine
CID 80896244

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80811552) is 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1nc(C)cc(N(C)CC(O)COC)n1.
What is the InChIKey of 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is BOQCJUJRDYYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-5-10(14-11(12-2)13-8)15(3)6-9(16)7-17-4/h5,9,16H,6-7H2,1-4H3,(H,12,13,14).
What are the key properties of 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 240.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80811552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).