N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine

C22H21N7 — CID 58546783

IUPACN,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C22H21N7/c1-28(2)22-25-11-16(12-26-22)20-21(24-10-9-23-20)17-13-29(14-17)19-8-7-15-5-3-4-6-18(15)27-19/h3-12,17H,13-14H2,1-2H3
InChIKeyXKDMTMSSLDSUGE-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.15
Rot. Bonds4

About N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine

N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine (PubChem CID 58546783) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
PubChem CID58546783
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC NameN,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C22H21N7/c1-28(2)22-25-11-16(12-26-22)20-21(24-10-9-23-20)17-13-29(14-17)19-8-7-15-5-3-4-6-18(15)27-19/h3-12,17H,13-14H2,1-2H3
InChIKeyXKDMTMSSLDSUGE-UHFFFAOYSA-N
XLogP3.15
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546915
4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
CID 58546781
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
methyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzoate
CID 58547607
2-methyl-2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]propanenitrile
CID 54675484
2-[3-[3-(6-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline;2,2,2-trifluoroacetic acid
CID 67468043
2-[3-[3-(6,6-dimethyl-2,3-dihydropyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675452
[2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]methanamine
CID 150824984
4-[4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenyl]sulfonylmorpholine
CID 58547400
2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547331
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546852
2-fluoro-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
CID 58547374

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine (CID 58546783) is N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine is CN(C)c1ncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1.
What is the InChIKey of N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The InChIKey is XKDMTMSSLDSUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-28(2)22-25-11-16(12-26-22)20-21(24-10-9-23-20)17-13-29(14-17)19-8-7-15-5-3-4-6-18(15)27-19/h3-12,17H,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58546783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).