1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol

C13H24N4O2 — CID 103056206

IUPAC1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
SMILESCCCNc1cnc(CN(C)CC(O)COC)cn1
InChIInChI=1S/C13H24N4O2/c1-4-5-14-13-7-15-11(6-16-13)8-17(2)9-12(18)10-19-3/h6-7,12,18H,4-5,8-10H2,1-3H3,(H,14,16)
InChIKeyQXKDCCJRBGVQGW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.74
Rot. Bonds9

About 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol

1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol (PubChem CID 103056206) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
PubChem CID103056206
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
SMILESCCCNc1cnc(CN(C)CC(O)COC)cn1
InChIInChI=1S/C13H24N4O2/c1-4-5-14-13-7-15-11(6-16-13)8-17(2)9-12(18)10-19-3/h6-7,12,18H,4-5,8-10H2,1-3H3,(H,14,16)
InChIKeyQXKDCCJRBGVQGW-UHFFFAOYSA-N
XLogP0.74
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]acetamide
CID 103055637
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 55046573
5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103055923
5-[[2-ethoxyethyl(ethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056461
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
CID 103055827
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336
5-[(2-methoxy-N-methylanilino)methyl]-N-propylpyrazin-2-amine
CID 103055919
N-ethyl-5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]pyrazin-2-amine
CID 103055808
N-ethyl-5-[[ethyl(methyl)amino]methyl]pyrazin-2-amine
CID 103055585
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62015365

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol (CID 103056206) is 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol is CCCNc1cnc(CN(C)CC(O)COC)cn1.
What is the InChIKey of 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol?
The InChIKey is QXKDCCJRBGVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-14-13-7-15-11(6-16-13)8-17(2)9-12(18)10-19-3/h6-7,12,18H,4-5,8-10H2,1-3H3,(H,14,16).
What are the key properties of 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 103056206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).