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

C9H16N4O2 — CID 106198786

IUPAC3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1nccc(NC(CO)COC)n1
InChIInChI=1S/C9H16N4O2/c1-10-9-11-4-3-8(13-9)12-7(5-14)6-15-2/h3-4,7,14H,5-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyACEIEOQYVOCTOZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.06
Rot. Bonds6

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

3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 106198786) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID106198786
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1nccc(NC(CO)COC)n1
InChIInChI=1S/C9H16N4O2/c1-10-9-11-4-3-8(13-9)12-7(5-14)6-15-2/h3-4,7,14H,5-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyACEIEOQYVOCTOZ-UHFFFAOYSA-N
XLogP-0.06
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
3-methyl-2-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80847955
2-N-ethyl-4-N-(1-methoxybutan-2-yl)pyrimidine-2,4-diamine
CID 80837494
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
CID 106186351
2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 80804129
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
3-methoxy-2-[(2-methoxy-4-pyridinyl)amino]propan-1-ol
CID 106186414
3-methoxy-2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propan-1-ol
CID 106198815
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 106198786) is 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is CNc1nccc(NC(CO)COC)n1.
What is the InChIKey of 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is ACEIEOQYVOCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-10-9-11-4-3-8(13-9)12-7(5-14)6-15-2/h3-4,7,14H,5-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 212.25 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 106198786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).