N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine

C12H18ClN3O — CID 102871504

IUPACN-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
SMILESCOc1cncc(N(CCCCl)C2CCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-17-12-9-14-8-11(15-12)16(7-3-6-13)10-4-2-5-10/h8-10H,2-7H2,1H3
InChIKeyBIDROZQOXQOPHO-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.47
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine

N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine (PubChem CID 102871504) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
PubChem CID102871504
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
SMILESCOc1cncc(N(CCCCl)C2CCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-17-12-9-14-8-11(15-12)16(7-3-6-13)10-4-2-5-10/h8-10H,2-7H2,1H3
InChIKeyBIDROZQOXQOPHO-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
CID 102871463
N-(3-bromopropyl)-N-cyclobutyl-6-propoxypyrazin-2-amine
CID 102871309
N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
CID 102871414
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine
CID 80670105
3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102846670
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine
CID 102637792
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
CID 106505048
N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
CID 102871547
4-N-(2-chloroethyl)-4-N-cyclopentyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830311

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine (CID 102871504) is N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine is COc1cncc(N(CCCCl)C2CCC2)n1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine?
The InChIKey is BIDROZQOXQOPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-17-12-9-14-8-11(15-12)16(7-3-6-13)10-4-2-5-10/h8-10H,2-7H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine?
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine is sourced from PubChem (CID 102871504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).