3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine

C12H19ClN4 — CID 106028253

IUPAC3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCC2CCCN2C)nc1C
InChIInChI=1S/C12H19ClN4/c1-8-9(2)16-12(11(13)15-8)14-7-10-5-4-6-17(10)3/h10H,4-7H2,1-3H3,(H,14,16)
InChIKeyLIERCTGYFQOYCV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.25
Rot. Bonds3

About 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine

3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine (PubChem CID 106028253) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
PubChem CID106028253
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCC2CCCN2C)nc1C
InChIInChI=1S/C12H19ClN4/c1-8-9(2)16-12(11(13)15-8)14-7-10-5-4-6-17(10)3/h10H,4-7H2,1-3H3,(H,14,16)
InChIKeyLIERCTGYFQOYCV-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323
3,5-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026698
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026122
6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029063
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 103724805
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinolin-2-amine
CID 106027080
3,5-difluoro-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026111

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine (CID 106028253) is 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine is Cc1nc(Cl)c(NCC2CCCN2C)nc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
The InChIKey is LIERCTGYFQOYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-9(2)16-12(11(13)15-8)14-7-10-5-4-6-17(10)3/h10H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 106028253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).