N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine

C19H24N6 — CID 125011669

IUPACN,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCc1nccc(N2CCC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)n1
InChIInChI=1S/C19H24N6/c1-14-20-9-8-18(21-14)25-11-4-6-15(12-25)16-13-24-10-5-7-17(24)19(22-16)23(2)3/h5,7-10,13,15H,4,6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyVRYMVSQJICNSTF-OAHLLOKOSA-N
MW336.44 g/mol
LogP2.88
Rot. Bonds3

About N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine

N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 125011669) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID125011669
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCc1nccc(N2CCC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)n1
InChIInChI=1S/C19H24N6/c1-14-20-9-8-18(21-14)25-11-4-6-15(12-25)16-13-24-10-5-7-17(24)19(22-16)23(2)3/h5,7-10,13,15H,4,6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyVRYMVSQJICNSTF-OAHLLOKOSA-N
XLogP2.88
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125015187
N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
[(3R)-3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 125010216
N,N-dimethyl-3-[(2R)-piperidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 129406964
2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 95829198
N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 124985854
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815880
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881
5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124945589
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 110257012

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine (CID 125011669) is N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine is Cc1nccc(N2CCC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)n1.
What is the InChIKey of N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is VRYMVSQJICNSTF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-20-9-8-18(21-14)25-11-4-6-15(12-25)16-13-24-10-5-7-17(24)19(22-16)23(2)3/h5,7-10,13,15H,4,6,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine?
N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 336.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 125011669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).