1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol

C9H16N4O2 — CID 80836350

IUPAC1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(N)nc(C)n1
InChIInChI=1S/C9H16N4O2/c1-6-12-8(10)3-9(13-6)11-4-7(14)5-15-2/h3,7,14H,4-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyGWJKOKUSXIBWGP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.21
Rot. Bonds5

About 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol

1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 80836350) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID80836350
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(N)nc(C)n1
InChIInChI=1S/C9H16N4O2/c1-6-12-8(10)3-9(13-6)11-4-7(14)5-15-2/h3,7,14H,4-5H2,1-2H3,(H3,10,11,12,13)
InChIKeyGWJKOKUSXIBWGP-UHFFFAOYSA-N
XLogP-0.21
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 78993257
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
1-[(5-amino-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79176154
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80547085
2-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839670
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (CID 80836350) is 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1cc(N)nc(C)n1.
What is the InChIKey of 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is GWJKOKUSXIBWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-12-8(10)3-9(13-6)11-4-7(14)5-15-2/h3,7,14H,4-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 212.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80836350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).