1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol

C12H22N4O2 — CID 154786993

IUPAC1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol
SMILESCc1nc(NCC(C)O)nc(NCC(C)O)c1C
InChIInChI=1S/C12H22N4O2/c1-7(17)5-13-11-9(3)10(4)15-12(16-11)14-6-8(2)18/h7-8,17-18H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyQDZBXNLACIHLMT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds6

About 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol

1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol (PubChem CID 154786993) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol
PubChem CID154786993
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol
SMILESCc1nc(NCC(C)O)nc(NCC(C)O)c1C
InChIInChI=1S/C12H22N4O2/c1-7(17)5-13-11-9(3)10(4)15-12(16-11)14-6-8(2)18/h7-8,17-18H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyQDZBXNLACIHLMT-UHFFFAOYSA-N
XLogP0.68
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520316
1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520314
1-[[4,8-bis(methylamino)-6-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520414
(2S)-1-[[4,8-bis(ethylamino)-2-(2-methylprop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol
CID 134520352
N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide
CID 72913259
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
1-[[4,8-bis(ethylamino)-2-(2-methylprop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-ol;hydrochloride
CID 134520291
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
1-[[4-[2-[[4-(2-hydroxypropylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 110178285

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol (CID 154786993) is 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol is Cc1nc(NCC(C)O)nc(NCC(C)O)c1C.
What is the InChIKey of 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is QDZBXNLACIHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(17)5-13-11-9(3)10(4)15-12(16-11)14-6-8(2)18/h7-8,17-18H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol?
1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxypropylamino)-5,6-dimethylpyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 154786993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).