1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol

C11H20N4O — CID 106147433

IUPAC1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ncccn1
InChIInChI=1S/C11H20N4O/c1-11(16,9-15(2)3)8-12-7-10-13-5-4-6-14-10/h4-6,12,16H,7-9H2,1-3H3
InChIKeyWFFJIULVDCNSKN-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.12
Rot. Bonds6

About 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol (PubChem CID 106147433) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
PubChem CID106147433
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ncccn1
InChIInChI=1S/C11H20N4O/c1-11(16,9-15(2)3)8-12-7-10-13-5-4-6-14-10/h4-6,12,16H,7-9H2,1-3H3
InChIKeyWFFJIULVDCNSKN-UHFFFAOYSA-N
XLogP-0.12
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106147598
1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 106145720
1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
CID 106147440
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 103837833
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
CID 114150255
N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
CID 103838945
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
1-(1,3-benzodioxol-4-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838999
1-(dimethylamino)-2-methyl-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 103838849
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol (CID 106147433) is 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol is CN(C)CC(C)(O)CNCc1ncccn1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol?
The InChIKey is WFFJIULVDCNSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(16,9-15(2)3)8-12-7-10-13-5-4-6-14-10/h4-6,12,16H,7-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol has a molecular weight of 224.31 g/mol, XLogP of -0.12, 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-(pyrimidin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106147433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).