N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine

C12H15ClN4 — CID 115363801

IUPACN-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCC(C)(CCl)CNc1ccc2nccnc2n1
InChIInChI=1S/C12H15ClN4/c1-12(2,7-13)8-16-10-4-3-9-11(17-10)15-6-5-14-9/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeySQGKCLINPLYEGS-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.70
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine

N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 115363801) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID115363801
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCC(C)(CCl)CNc1ccc2nccnc2n1
InChIInChI=1S/C12H15ClN4/c1-12(2,7-13)8-16-10-4-3-9-11(17-10)15-6-5-14-9/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeySQGKCLINPLYEGS-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.70
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

N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine
CID 106142055
N-(2-fluoroethyl)pyrido[2,3-b]pyrazin-6-amine
CID 130478045
N-(3-methyl-2-propan-2-ylbutyl)pyrido[2,3-b]pyrazin-6-amine
CID 102913962
N-(2-chloroprop-2-enyl)pyrido[2,3-b]pyrazin-6-amine
CID 115637254
N-tert-butyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)acetamide
CID 78988508
N-prop-2-enylpyrido[2,3-b]pyrazin-6-amine
CID 78988348
N-(2-cyclopropylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 79033935
N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103736676
N-(2-ethylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 103658809
N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
CID 78995491
N-(2-methylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955171
N-[(2-chlorophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78981083

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine (CID 115363801) is N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine is CC(C)(CCl)CNc1ccc2nccnc2n1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is SQGKCLINPLYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-12(2,7-13)8-16-10-4-3-9-11(17-10)15-6-5-14-9/h3-6H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine?
N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 250.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 115363801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).