(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine

C18H22N6O — CID 118372912

IUPAC(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine
SMILESC=C(N)c1ncc(N[C@@H](CN)COC)nc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C18H22N6O/c1-11(20)17-18(15-7-12-5-3-4-6-14(12)23-15)24-16(9-21-17)22-13(8-19)10-25-2/h3-7,9,13,23H,1,8,10,19-20H2,2H3,(H,22,24)/t13-/m0/s1
InChIKeyQEXVCHFHJBYEEE-ZDUSSCGKSA-N
MW338.42 g/mol
LogP1.94
Rot. Bonds7

About (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine

(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine (PubChem CID 118372912) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine
PubChem CID118372912
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine
SMILESC=C(N)c1ncc(N[C@@H](CN)COC)nc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C18H22N6O/c1-11(20)17-18(15-7-12-5-3-4-6-14(12)23-15)24-16(9-21-17)22-13(8-19)10-25-2/h3-7,9,13,23H,1,8,10,19-20H2,2H3,(H,22,24)/t13-/m0/s1
InChIKeyQEXVCHFHJBYEEE-ZDUSSCGKSA-N
XLogP1.94
TPSA114.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate
CID 140777745
3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 123176707
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 102532139
3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
CID 106182176
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
3-methoxy-2-N-(6-methoxypyrazin-2-yl)propane-1,2-diamine
CID 106181983
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
CID 106186351
3-methoxy-2-N-(6-propan-2-yloxypyrazin-2-yl)propane-1,2-diamine
CID 114154990
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998
4-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-2-carboxamide
CID 106182130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine?
The IUPAC name of (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine (CID 118372912) is (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine is C=C(N)c1ncc(N[C@@H](CN)COC)nc1-c1cc2ccccc2[nH]1.
What is the InChIKey of (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine?
The InChIKey is QEXVCHFHJBYEEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11(20)17-18(15-7-12-5-3-4-6-14(12)23-15)24-16(9-21-17)22-13(8-19)10-25-2/h3-7,9,13,23H,1,8,10,19-20H2,2H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine?
(2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine has a molecular weight of 338.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[5-(1-aminoethenyl)-6-(1H-indol-2-yl)pyrazin-2-yl]-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 118372912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).