N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine

C9H14ClN3 — CID 91464633

IUPACN-butan-2-yl-6-(chloromethyl)pyrazin-2-amine
SMILESCCC(C)Nc1cncc(CCl)n1
InChIInChI=1S/C9H14ClN3/c1-3-7(2)12-9-6-11-5-8(4-10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyANWICKKEQNTEQN-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.43
Rot. Bonds4

About N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine

N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine (PubChem CID 91464633) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-(chloromethyl)pyrazin-2-amine
PubChem CID91464633
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-butan-2-yl-6-(chloromethyl)pyrazin-2-amine
SMILESCCC(C)Nc1cncc(CCl)n1
InChIInChI=1S/C9H14ClN3/c1-3-7(2)12-9-6-11-5-8(4-10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyANWICKKEQNTEQN-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
N,3-Dimethylpyrazin-2-amine
CID 44327445
N,6-dimethylpyrazin-2-amine
CID 55286460
3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
3-(Ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215
3-(Butylamino)pyrazine-2,5-dicarbonitrile
CID 57398216
2-Methyl-3-(piperazin-1-yl)pyrazine hydrochloride
CID 71639307
2,5-Dimethyl-3-piperazin-1-ylpyrazine;hydrochloride
CID 90674677
2,5-Dimethyl-3-piperazin-1-ylpyrazine
CID 3811910
3-Amino-6-(chloromethyl)pyrazinecarbonitrile
CID 583772
N,3-dimethylpyrazin-2-amine hydrochloride
CID 126812056

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine?
The IUPAC name of N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine (CID 91464633) is N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine.
What is the SMILES notation for N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine?
The canonical SMILES for N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine is CCC(C)Nc1cncc(CCl)n1.
What is the InChIKey of N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine?
The InChIKey is ANWICKKEQNTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-7(2)12-9-6-11-5-8(4-10)13-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine?
N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine is sourced from PubChem (CID 91464633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).