(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol

C9H15N3O — CID 131159627

IUPAC(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol
SMILESCc1cncc(N(C)[C@H](C)CO)n1
InChIInChI=1S/C9H15N3O/c1-7-4-10-5-9(11-7)12(3)8(2)6-13/h4-5,8,13H,6H2,1-3H3/t8-/m1/s1
InChIKeyKRYTZDONVXBODU-MRVPVSSYSA-N
MW181.24 g/mol
LogP0.60
Rot. Bonds3

About (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol

(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol (PubChem CID 131159627) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol
PubChem CID131159627
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol
SMILESCc1cncc(N(C)[C@H](C)CO)n1
InChIInChI=1S/C9H15N3O/c1-7-4-10-5-9(11-7)12(3)8(2)6-13/h4-5,8,13H,6H2,1-3H3/t8-/m1/s1
InChIKeyKRYTZDONVXBODU-MRVPVSSYSA-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-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 115868780
2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
CID 115765248
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
[6-[methyl(propan-2-yl)amino]pyrazin-2-yl]methanol
CID 66467744
6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine
CID 66468006
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
N-cyclobutyl-N,6-dimethylpyrazin-2-amine
CID 126857003
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
N-(cyclopropylmethyl)-N,6-dimethylpyrazin-2-amine
CID 131114250
(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 97329550
7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104553700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol (CID 131159627) is (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol is Cc1cncc(N(C)[C@H](C)CO)n1.
What is the InChIKey of (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol?
The InChIKey is KRYTZDONVXBODU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-4-10-5-9(11-7)12(3)8(2)6-13/h4-5,8,13H,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol?
(2R)-2-[methyl-(6-methylpyrazin-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 (2R)-2-[methyl-(6-methylpyrazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 131159627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).