2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H26N5O+ — CID 7174902

IUPAC2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[NH+]2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H25N5O/c1-15-14-18(21-8-9-24-10-12-26-13-11-24)25-20(22-15)19(16(2)23-25)17-6-4-3-5-7-17/h3-7,14,21H,8-13H2,1-2H3/p+1
InChIKeyNNUTXINJOJHNTF-UHFFFAOYSA-O
MW352.46 g/mol
LogP1.34
Rot. Bonds5

About 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 7174902) has the molecular formula C20H26N5O+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID7174902
Molecular FormulaC20H26N5O+
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC[NH+]2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H25N5O/c1-15-14-18(21-8-9-24-10-12-26-13-11-24)25-20(22-15)19(16(2)23-25)17-6-4-3-5-7-17/h3-7,14,21H,8-13H2,1-2H3/p+1
InChIKeyNNUTXINJOJHNTF-UHFFFAOYSA-O
XLogP1.34
TPSA55.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044964
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
4-[2-(7,11-dimethyl-10-phenyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethyl]morpholin-4-ium
CID 7632059
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193826
5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3321782
2-[(2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl-dimethylazanium
CID 7619003
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7632078
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 7174902) is 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC[NH+]2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NNUTXINJOJHNTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N5O/c1-15-14-18(21-8-9-24-10-12-26-13-11-24)25-20(22-15)19(16(2)23-25)17-6-4-3-5-7-17/h3-7,14,21H,8-13H2,1-2H3/p+1.
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 7174902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).