3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol

C12H22N4O — CID 80981891

IUPAC3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
SMILESCCCc1nc(NC)c(C)c(NCCCO)n1
InChIInChI=1S/C12H22N4O/c1-4-6-10-15-11(13-3)9(2)12(16-10)14-7-5-8-17/h17H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyIGNCGBHJIVSLIB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.57
Rot. Bonds7

About 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol

3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80981891) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
PubChem CID80981891
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
SMILESCCCc1nc(NC)c(C)c(NCCCO)n1
InChIInChI=1S/C12H22N4O/c1-4-6-10-15-11(13-3)9(2)12(16-10)14-7-5-8-17/h17H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyIGNCGBHJIVSLIB-UHFFFAOYSA-N
XLogP1.57
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343430
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-[2-(dimethylamino)propyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982651
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
4-[[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138586
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol (CID 80981891) is 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol is CCCc1nc(NC)c(C)c(NCCCO)n1.
What is the InChIKey of 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is IGNCGBHJIVSLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-10-15-11(13-3)9(2)12(16-10)14-7-5-8-17/h17H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol?
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80981891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).