N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine

C10H16ClN3O — CID 106154077

IUPACN-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
SMILESCOCC(CCCl)Nc1nccnc1C
InChIInChI=1S/C10H16ClN3O/c1-8-10(13-6-5-12-8)14-9(3-4-11)7-15-2/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyVNTSQQFBWBYZMU-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.84
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine

N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine (PubChem CID 106154077) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
PubChem CID106154077
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
SMILESCOCC(CCCl)Nc1nccnc1C
InChIInChI=1S/C10H16ClN3O/c1-8-10(13-6-5-12-8)14-9(3-4-11)7-15-2/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyVNTSQQFBWBYZMU-UHFFFAOYSA-N
XLogP1.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chloro-1-methoxybutan-2-yl)amino]-1H-pyrazin-2-one
CID 106154188
N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
CID 106154134
N-(4-chloro-1-methoxybutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114150906
1-tert-butyl-3-[(4-chloro-1-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114150934
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)isoquinolin-1-amine
CID 106153795
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106154116
N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106153686
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine
CID 83063008
N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 106153854
4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
CID 83063532
N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
CID 106153817

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine (CID 106154077) is N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine is COCC(CCCl)Nc1nccnc1C.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine?
The InChIKey is VNTSQQFBWBYZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-10(13-6-5-12-8)14-9(3-4-11)7-15-2/h5-6,9H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine?
N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 106154077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).