N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine

C21H26N6O — CID 29150663

IUPACN,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine
SMILESCN(C)c1cc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)ncn1
InChIInChI=1S/C21H26N6O/c1-25(2)21-15-20(22-16-23-21)18-5-3-4-17(14-18)19-6-7-27(24-19)9-8-26-10-12-28-13-11-26/h3-7,14-16H,8-13H2,1-2H3
InChIKeyGMHBTNPNUOGBOB-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.41
Rot. Bonds6

About N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine

N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine (PubChem CID 29150663) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine
PubChem CID29150663
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine
SMILESCN(C)c1cc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)ncn1
InChIInChI=1S/C21H26N6O/c1-25(2)21-15-20(22-16-23-21)18-5-3-4-17(14-18)19-6-7-27(24-19)9-8-26-10-12-28-13-11-26/h3-7,14-16H,8-13H2,1-2H3
InChIKeyGMHBTNPNUOGBOB-UHFFFAOYSA-N
XLogP2.41
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine
CID 29022638
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
[3-[6-(dimethylamino)pyrimidin-4-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 119063208
4-N-ethyl-4-N-[2-(2-morpholin-4-ylethylamino)ethyl]-1-N-[6-(3-phenylphenyl)pyrimidin-4-yl]benzene-1,4-diamine
CID 11398317
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232
2-[3-(3-bromophenyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 174281204
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041
N-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 141200703
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile
CID 58657079
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657297
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 75422017

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine (CID 29150663) is N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine is CN(C)c1cc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)ncn1.
What is the InChIKey of N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine?
The InChIKey is GMHBTNPNUOGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25(2)21-15-20(22-16-23-21)18-5-3-4-17(14-18)19-6-7-27(24-19)9-8-26-10-12-28-13-11-26/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine?
N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 29150663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).