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

C11H20N4O3 — CID 114157112

IUPAC3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1cc(NC(CO)COC)nc(COC)n1
InChIInChI=1S/C11H20N4O3/c1-12-9-4-10(13-8(5-16)6-17-2)15-11(14-9)7-18-3/h4,8,16H,5-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyGCRGBWDXVJBBNU-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.08
Rot. Bonds8

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

3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 114157112) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID114157112
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1cc(NC(CO)COC)nc(COC)n1
InChIInChI=1S/C11H20N4O3/c1-12-9-4-10(13-8(5-16)6-17-2)15-11(14-9)7-18-3/h4,8,16H,5-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyGCRGBWDXVJBBNU-UHFFFAOYSA-N
XLogP0.08
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-methoxy-2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propan-1-ol
CID 106198815
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80950094
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
3-[2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311799
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 114157112) is 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is CNc1cc(NC(CO)COC)nc(COC)n1.
What is the InChIKey of 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is GCRGBWDXVJBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-12-9-4-10(13-8(5-16)6-17-2)15-11(14-9)7-18-3/h4,8,16H,5-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 256.31 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 114157112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).