2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol

C12H21N3O — CID 115868780

IUPAC2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc(N(C)C(C)CO)nc(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)12-13-9(3)6-11(14-12)15(5)10(4)7-16/h6,8,10,16H,7H2,1-5H3
InChIKeyRDCVSCLYBIGCAC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds4

About 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol

2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 115868780) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID115868780
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc(N(C)C(C)CO)nc(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)12-13-9(3)6-11(14-12)15(5)10(4)7-16/h6,8,10,16H,7H2,1-5H3
InChIKeyRDCVSCLYBIGCAC-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 133322481
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol
CID 131159627
2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 63644575
2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 61147636
N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 54991803
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 54948987
N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 43517237
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
N,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133308441
N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 66183116

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (CID 115868780) is 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is Cc1cc(N(C)C(C)CO)nc(C(C)C)n1.
What is the InChIKey of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is RDCVSCLYBIGCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)12-13-9(3)6-11(14-12)15(5)10(4)7-16/h6,8,10,16H,7H2,1-5H3.
What are the key properties of 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 115868780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).