N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H28N4O2 — CID 95798960

IUPACN-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOCCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12
InChIInChI=1S/C18H28N4O2/c1-4-23-9-5-8-19-18-13(2)14(3)20-17-12-16(21-22(17)18)15-6-10-24-11-7-15/h12,15,19H,4-11H2,1-3H3
InChIKeyMMINUALHNYPMAA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.08
Rot. Bonds7

About N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95798960) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95798960
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOCCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12
InChIInChI=1S/C18H28N4O2/c1-4-23-9-5-8-19-18-13(2)14(3)20-17-12-16(21-22(17)18)15-6-10-24-11-7-15/h12,15,19H,4-11H2,1-3H3
InChIKeyMMINUALHNYPMAA-UHFFFAOYSA-N
XLogP3.08
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
US9932325, Example 193
CID 132244742
US10239882, Example 53
CID 121320247
5-propyl-N-[3-(tetrahydro-3-furanyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888664
{(1R*,2S*)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methanol
CID 56913210
{(1R*,2S*)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methanol
CID 56914472
5-propyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915145
5-ethyl-2,3-dimethyl-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70732923
Ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 70753347
trans-4-[(5-Ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexanol
CID 70753715
2-methyl-N-(oxan-3-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70772268
(cis-4-Aminocyclohexyl)(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amine
CID 70772346

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 95798960) is N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCOCCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12.
What is the InChIKey of N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MMINUALHNYPMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-23-9-5-8-19-18-13(2)14(3)20-17-12-16(21-22(17)18)15-6-10-24-11-7-15/h12,15,19H,4-11H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95798960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).