2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol

C9H15N3O — CID 115765259

IUPAC2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1ccnc(N(C)C(C)CO)n1
InChIInChI=1S/C9H15N3O/c1-7-4-5-10-9(11-7)12(3)8(2)6-13/h4-5,8,13H,6H2,1-3H3
InChIKeyOLVYMMJFQXAEQU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds3

About 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol

2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 115765259) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID115765259
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1ccnc(N(C)C(C)CO)n1
InChIInChI=1S/C9H15N3O/c1-7-4-5-10-9(11-7)12(3)8(2)6-13/h4-5,8,13H,6H2,1-3H3
InChIKeyOLVYMMJFQXAEQU-UHFFFAOYSA-N
XLogP0.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 63761938
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
CID 104551057
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557123
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
CID 103873023
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
CID 62960170
3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol
CID 133445857
(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol
CID 131159627
1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one
CID 117044761
2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547939
N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 62958579

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol (CID 115765259) is 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol is Cc1ccnc(N(C)C(C)CO)n1.
What is the InChIKey of 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is OLVYMMJFQXAEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-4-5-10-9(11-7)12(3)8(2)6-13/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol?
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 115765259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).