1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C19H25N5O3 — CID 95894530

IUPAC1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc([C@H](C)Nc2nc(C)nc3c2c(C)nn3C)cc(OC)c1OC
InChIInChI=1S/C19H25N5O3/c1-10(13-8-14(25-5)17(27-7)15(9-13)26-6)20-18-16-11(2)23-24(4)19(16)22-12(3)21-18/h8-10H,1-7H3,(H,20,21,22)/t10-/m0/s1
InChIKeyCZXPQJDCMOBYKU-JTQLQIEISA-N
MW371.44 g/mol
LogP3.18
Rot. Bonds6

About 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95894530) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95894530
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc([C@H](C)Nc2nc(C)nc3c2c(C)nn3C)cc(OC)c1OC
InChIInChI=1S/C19H25N5O3/c1-10(13-8-14(25-5)17(27-7)15(9-13)26-6)20-18-16-11(2)23-24(4)19(16)22-12(3)21-18/h8-10H,1-7H3,(H,20,21,22)/t10-/m0/s1
InChIKeyCZXPQJDCMOBYKU-JTQLQIEISA-N
XLogP3.18
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3,6-trimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70772776
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine
CID 110447777
6-chloro-4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 175964551
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72847158
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924
1,3,6-trimethyl-N-[(1S)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873901
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
CID 133283269
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582
N-(5-chloro-1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)-3,4,5-trimethoxybenzamide
CID 26433729

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95894530) is 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc([C@H](C)Nc2nc(C)nc3c2c(C)nn3C)cc(OC)c1OC.
What is the InChIKey of 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CZXPQJDCMOBYKU-JTQLQIEISA-N. The full InChI is InChI=1S/C19H25N5O3/c1-10(13-8-14(25-5)17(27-7)15(9-13)26-6)20-18-16-11(2)23-24(4)19(16)22-12(3)21-18/h8-10H,1-7H3,(H,20,21,22)/t10-/m0/s1.
What are the key properties of 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95894530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).