N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C16H17N5 — CID 133286334

IUPACN-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(C(Nc2ncnc3[nH]ncc23)C2CCC2)cc1
InChIInChI=1S/C16H17N5/c1-2-5-11(6-3-1)14(12-7-4-8-12)20-15-13-9-19-21-16(13)18-10-17-15/h1-3,5-6,9-10,12,14H,4,7-8H2,(H2,17,18,19,20,21)
InChIKeyRQNBMKIRFJBFSP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.31
Rot. Bonds4

About N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133286334) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133286334
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(C(Nc2ncnc3[nH]ncc23)C2CCC2)cc1
InChIInChI=1S/C16H17N5/c1-2-5-11(6-3-1)14(12-7-4-8-12)20-15-13-9-19-21-16(13)18-10-17-15/h1-3,5-6,9-10,12,14H,4,7-8H2,(H2,17,18,19,20,21)
InChIKeyRQNBMKIRFJBFSP-UHFFFAOYSA-N
XLogP3.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286362
N-[(R)-cyclopropyl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 41332400
(2S)-N,2-diphenyl-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)acetamide
CID 95767770
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11559983
3-bromo-N-[cyclobutyl(phenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133286346
N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole
CID 143181122
N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 69276306
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 167792462
N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95971551
N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133322747
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133286334) is N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc(C(Nc2ncnc3[nH]ncc23)C2CCC2)cc1.
What is the InChIKey of N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RQNBMKIRFJBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-5-11(6-3-1)14(12-7-4-8-12)20-15-13-9-19-21-16(13)18-10-17-15/h1-3,5-6,9-10,12,14H,4,7-8H2,(H2,17,18,19,20,21).
What are the key properties of N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133286334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).