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

C12H23N5O — CID 106150185

IUPAC1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(C)(O)CN(C)C)nc(C)n1
InChIInChI=1S/C12H23N5O/c1-9-15-10(13-3)6-11(16-9)14-7-12(2,18)8-17(4)5/h6,18H,7-8H2,1-5H3,(H2,13,14,15,16)
InChIKeyNBDQIDAPHKJAFH-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.55
Rot. Bonds6

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

1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 106150185) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID106150185
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(C)(O)CN(C)C)nc(C)n1
InChIInChI=1S/C12H23N5O/c1-9-15-10(13-3)6-11(16-9)14-7-12(2,18)8-17(4)5/h6,18H,7-8H2,1-5H3,(H2,13,14,15,16)
InChIKeyNBDQIDAPHKJAFH-UHFFFAOYSA-N
XLogP0.55
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150416
1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150090
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956669
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150415
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149394
1-(dimethylamino)-2-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 106150176
1-(dimethylamino)-3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 106150231
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 82949807
1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 154781770

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 106150185) is 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1cc(NCC(C)(O)CN(C)C)nc(C)n1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is NBDQIDAPHKJAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9-15-10(13-3)6-11(16-9)14-7-12(2,18)8-17(4)5/h6,18H,7-8H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 106150185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).