N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine

C20H26N4 — CID 91646886

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)CNC(C)c2cnc3cc(C)nn3c2C)cc1
InChIInChI=1S/C20H26N4/c1-13-6-8-18(9-7-13)14(2)11-21-16(4)19-12-22-20-10-15(3)23-24(20)17(19)5/h6-10,12,14,16,21H,11H2,1-5H3
InChIKeyFHTQKQZCHGYYOY-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.11
Rot. Bonds5

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine (PubChem CID 91646886) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine
PubChem CID91646886
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)CNC(C)c2cnc3cc(C)nn3c2C)cc1
InChIInChI=1S/C20H26N4/c1-13-6-8-18(9-7-13)14(2)11-21-16(4)19-12-22-20-10-15(3)23-24(20)17(19)5/h6-10,12,14,16,21H,11H2,1-5H3
InChIKeyFHTQKQZCHGYYOY-UHFFFAOYSA-N
XLogP4.11
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
CID 115888575
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43201499
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
CID 43205172
1-cyclopropyl-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]ethanol
CID 63294854
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol
CID 66169884
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
CID 82707253
methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
CID 43322248
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylacetamide
CID 43310816
[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol
CID 97107840
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978758
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63291941
[1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115454498

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine (CID 91646886) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(C)CNC(C)c2cnc3cc(C)nn3c2C)cc1.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine?
The InChIKey is FHTQKQZCHGYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-13-6-8-18(9-7-13)14(2)11-21-16(4)19-12-22-20-10-15(3)23-24(20)17(19)5/h6-10,12,14,16,21H,11H2,1-5H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine has a molecular weight of 322.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 91646886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).