N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C10H11Cl2N5 — CID 138019388

IUPACN-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCC=C(Cl)Cl)c2cnn(C)c2n1
InChIInChI=1S/C10H11Cl2N5/c1-6-15-9(13-4-3-8(11)12)7-5-14-17(2)10(7)16-6/h3,5H,4H2,1-2H3,(H,13,15,16)
InChIKeySYYLPCPZEUGDKV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.40
Rot. Bonds3

About N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 138019388) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID138019388
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC NameN-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCC=C(Cl)Cl)c2cnn(C)c2n1
InChIInChI=1S/C10H11Cl2N5/c1-6-15-9(13-4-3-8(11)12)7-5-14-17(2)10(7)16-6/h3,5H,4H2,1-2H3,(H,13,15,16)
InChIKeySYYLPCPZEUGDKV-UHFFFAOYSA-N
XLogP2.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 95729205
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 138023130
ethyl (2R,3S)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-methylbutanoate
CID 99843622
1,6-dimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72877661
(2R)-1-(4-chloro-3-methylphenoxy)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95709764
(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 95724905
N-ethyl-6-methyl-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726784
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one
CID 56890103
N,1-diethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726603
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72889142

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 138019388) is N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCC=C(Cl)Cl)c2cnn(C)c2n1.
What is the InChIKey of N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SYYLPCPZEUGDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5/c1-6-15-9(13-4-3-8(11)12)7-5-14-17(2)10(7)16-6/h3,5H,4H2,1-2H3,(H,13,15,16).
What are the key properties of N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 272.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 138019388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).