1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one

C16H21N7O — CID 56915336

IUPAC1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCCc1nc(NCCn2c(C)cc(C)nc2=O)c2cnn(C)c2n1
InChIInChI=1S/C16H21N7O/c1-5-13-20-14(12-9-18-22(4)15(12)21-13)17-6-7-23-11(3)8-10(2)19-16(23)24/h8-9H,5-7H2,1-4H3,(H,17,20,21)
InChIKeySRWONPKFMYWZRZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.21
Rot. Bonds5

About 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 56915336) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID56915336
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCCc1nc(NCCn2c(C)cc(C)nc2=O)c2cnn(C)c2n1
InChIInChI=1S/C16H21N7O/c1-5-13-20-14(12-9-18-22(4)15(12)21-13)17-6-7-23-11(3)8-10(2)19-16(23)24/h8-9H,5-7H2,1-4H3,(H,17,20,21)
InChIKeySRWONPKFMYWZRZ-UHFFFAOYSA-N
XLogP1.21
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one with MolForge

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Related Compounds

6-ethyl-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56883329
5-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 56883067
1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 61386997
(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95717074
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220998
1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 107756434
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
4,6-dimethyl-1-[2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethyl]pyrimidin-2-one
CID 56889187
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one
CID 63221053
4,6-dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220654
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one (CID 56915336) is 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one is CCc1nc(NCCn2c(C)cc(C)nc2=O)c2cnn(C)c2n1.
What is the InChIKey of 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is SRWONPKFMYWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-5-13-20-14(12-9-18-22(4)15(12)21-13)17-6-7-23-11(3)8-10(2)19-16(23)24/h8-9H,5-7H2,1-4H3,(H,17,20,21).
What are the key properties of 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 56915336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).