2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol

C18H25N3O2 — CID 126672862

IUPAC2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cncc(-c2cc(C(C)C)ccc2OC)n1
InChIInChI=1S/C18H25N3O2/c1-5-14(11-22)20-18-10-19-9-16(21-18)15-8-13(12(2)3)6-7-17(15)23-4/h6-10,12,14,22H,5,11H2,1-4H3,(H,20,21)
InChIKeyMRYRRHIGDBBGPJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.46
Rot. Bonds7

About 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol

2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol (PubChem CID 126672862) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol
PubChem CID126672862
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cncc(-c2cc(C(C)C)ccc2OC)n1
InChIInChI=1S/C18H25N3O2/c1-5-14(11-22)20-18-10-19-9-16(21-18)15-8-13(12(2)3)6-7-17(15)23-4/h6-10,12,14,22H,5,11H2,1-4H3,(H,20,21)
InChIKeyMRYRRHIGDBBGPJ-UHFFFAOYSA-N
XLogP3.46
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9902722, Example 7
CID 118429852
1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
CID 196882
3,6-diethyl-5-(2-methoxy-4-methylphenyl)-N-pentan-3-ylpyrazin-2-amine
CID 9945957
(1R)-2-[[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918481
2-Methoxy-4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenol
CID 135474397
2-methoxy-4-[6-[[(1S)-1-phenylbutyl]amino]pyrazin-2-yl]phenol
CID 135966008
2-Methoxy-4-[6-[1-(3-methoxyphenyl)butylamino]pyrazin-2-yl]phenol
CID 136123485
U 80493
CID 196883
5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233500
2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride
CID 45259206
N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 45488490
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-(4-methylphenyl)methanol
CID 49789141

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol (CID 126672862) is 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol is CCC(CO)Nc1cncc(-c2cc(C(C)C)ccc2OC)n1.
What is the InChIKey of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol?
The InChIKey is MRYRRHIGDBBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-14(11-22)20-18-10-19-9-16(21-18)15-8-13(12(2)3)6-7-17(15)23-4/h6-10,12,14,22H,5,11H2,1-4H3,(H,20,21).
What are the key properties of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol?
2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 126672862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).