1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol

C12H22N4O — CID 106145720

IUPAC1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCc1nccc(CNCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-10-14-6-5-11(15-10)7-13-8-12(2,17)9-16(3)4/h5-6,13,17H,7-9H2,1-4H3
InChIKeyLCALDAROTMPMHZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.19
Rot. Bonds6

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

1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (PubChem CID 106145720) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
PubChem CID106145720
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
SMILESCc1nccc(CNCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-10-14-6-5-11(15-10)7-13-8-12(2,17)9-16(3)4/h5-6,13,17H,7-9H2,1-4H3
InChIKeyLCALDAROTMPMHZ-UHFFFAOYSA-N
XLogP0.19
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
CID 114164015
2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
CID 81419018
1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
CID 106147433
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
CID 114150255
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838801
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
1-(dimethylamino)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106147598
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol (CID 106145720) is 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is Cc1nccc(CNCC(C)(O)CN(C)C)n1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
The InChIKey is LCALDAROTMPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-14-6-5-11(15-10)7-13-8-12(2,17)9-16(3)4/h5-6,13,17H,7-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106145720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).