N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C15H23N5O — CID 133308995

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)(C)C1OCCCC1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C15H23N5O/c1-15(2,3)12-10(5-4-6-21-12)7-16-13-11-8-19-20-14(11)18-9-17-13/h8-10,12H,4-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyLNOITSMTNAUYGN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.61
Rot. Bonds3

About N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133308995) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133308995
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)(C)C1OCCCC1CNc1ncnc2[nH]ncc12
InChIInChI=1S/C15H23N5O/c1-15(2,3)12-10(5-4-6-21-12)7-16-13-11-8-19-20-14(11)18-9-17-13/h8-10,12H,4-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyLNOITSMTNAUYGN-UHFFFAOYSA-N
XLogP2.61
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 94180483
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95126872
N-(2-cyclopropylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133324202
N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133308990
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide
CID 133274136
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133312201
N-[(2-tert-butyloxan-3-yl)methyl]-5-nitropyridin-2-amine
CID 133308946
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133326050
N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431265

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133308995) is N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)(C)C1OCCCC1CNc1ncnc2[nH]ncc12.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LNOITSMTNAUYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)12-10(5-4-6-21-12)7-16-13-11-8-19-20-14(11)18-9-17-13/h8-10,12H,4-7H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133308995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).