2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H26N4O — CID 56886694

IUPAC2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NCCC3CCCOC3)n2n1
InChIInChI=1S/C17H26N4O/c1-12(2)15-10-16(21-17(19-15)9-13(3)20-21)18-7-6-14-5-4-8-22-11-14/h9-10,12,14,18H,4-8,11H2,1-3H3
InChIKeyAMFZCWRPKKJASK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.39
Rot. Bonds5

About 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56886694) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56886694
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NCCC3CCCOC3)n2n1
InChIInChI=1S/C17H26N4O/c1-12(2)15-10-16(21-17(19-15)9-13(3)20-21)18-7-6-14-5-4-8-22-11-14/h9-10,12,14,18H,4-8,11H2,1-3H3
InChIKeyAMFZCWRPKKJASK-UHFFFAOYSA-N
XLogP3.39
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95718973
N-(oxan-3-ylmethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56905068
[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95866553
5-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909765
1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 56891397
2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95871375
trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 56885324
[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
CID 56901779
3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
CID 56900272
N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913217
cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 56896555
2-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazol-3-amine
CID 130617330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56886694) is 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(NCCC3CCCOC3)n2n1.
What is the InChIKey of 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AMFZCWRPKKJASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12(2)15-10-16(21-17(19-15)9-13(3)20-21)18-7-6-14-5-4-8-22-11-14/h9-10,12,14,18H,4-8,11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 302.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56886694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).