N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine

C18H24N4 — CID 95133357

IUPACN,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
SMILESC[C@H](c1cccc(-c2nccnc2N(C)C)c1)N1CCCC1
InChIInChI=1S/C18H24N4/c1-14(22-11-4-5-12-22)15-7-6-8-16(13-15)17-18(21(2)3)20-10-9-19-17/h6-10,13-14H,4-5,11-12H2,1-3H3/t14-/m1/s1
InChIKeyXCNLBWKQMFJSGE-CQSZACIVSA-N
MW296.42 g/mol
LogP3.37
Rot. Bonds4

About N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine

N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine (PubChem CID 95133357) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
PubChem CID95133357
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
SMILESC[C@H](c1cccc(-c2nccnc2N(C)C)c1)N1CCCC1
InChIInChI=1S/C18H24N4/c1-14(22-11-4-5-12-22)15-7-6-8-16(13-15)17-18(21(2)3)20-10-9-19-17/h6-10,13-14H,4-5,11-12H2,1-3H3/t14-/m1/s1
InChIKeyXCNLBWKQMFJSGE-CQSZACIVSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
4-[3-(1-pyrrolidin-1-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 50980934
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
CID 126424979
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
4,6-dimethyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridine-3-carboxamide
CID 95125725

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine (CID 95133357) is N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine is C[C@H](c1cccc(-c2nccnc2N(C)C)c1)N1CCCC1.
What is the InChIKey of N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine?
The InChIKey is XCNLBWKQMFJSGE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4/c1-14(22-11-4-5-12-22)15-7-6-8-16(13-15)17-18(21(2)3)20-10-9-19-17/h6-10,13-14H,4-5,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine?
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 95133357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).