4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine

C16H18N4 — CID 71577988

IUPAC4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
SMILESCCCCc1nc(C)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H18N4/c1-3-4-10-15-14-11-17-20(13-8-6-5-7-9-13)16(14)19-12(2)18-15/h5-9,11H,3-4,10H2,1-2H3
InChIKeyVVXRRZZNLBSSRQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.47
Rot. Bonds4

About 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine

4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine (PubChem CID 71577988) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
PubChem CID71577988
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
SMILESCCCCc1nc(C)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H18N4/c1-3-4-10-15-14-11-17-20(13-8-6-5-7-9-13)16(14)19-12(2)18-15/h5-9,11H,3-4,10H2,1-2H3
InChIKeyVVXRRZZNLBSSRQ-UHFFFAOYSA-N
XLogP3.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 7995915
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2038166
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610
5-butyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135414794
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 42675631
1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
CID 63197828
4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136690221
(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10544535
N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 6159961
4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 170093134
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine (CID 71577988) is 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine is CCCCc1nc(C)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The InChIKey is VVXRRZZNLBSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-4-10-15-14-11-17-20(13-8-6-5-7-9-13)16(14)19-12(2)18-15/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine?
4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine has a molecular weight of 266.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 71577988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).