4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C11H11ClN10O — CID 157231027

IUPAC4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2[nH]ncc12.Nc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C6H7N5O.C5H4ClN5/c1-12-5-3-2-8-11-4(3)9-6(7)10-5;6-3-2-1-8-11-4(2)10-5(7)9-3/h2H,1H3,(H3,7,8,9,10,11);1H,(H3,7,8,9,10,11)
InChIKeyAUCHWUXRUMBWSY-UHFFFAOYSA-N
MW334.73 g/mol
LogP0.53
Rot. Bonds1

About 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 157231027) has the molecular formula C11H11ClN10O and a molecular weight of 334.73 g/mol. Its IUPAC name is 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID157231027
Molecular FormulaC11H11ClN10O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2[nH]ncc12.Nc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C6H7N5O.C5H4ClN5/c1-12-5-3-2-8-11-4(3)9-6(7)10-5;6-3-2-1-8-11-4(2)10-5(7)9-3/h2H,1H3,(H3,7,8,9,10,11);1H,(H3,7,8,9,10,11)
InChIKeyAUCHWUXRUMBWSY-UHFFFAOYSA-N
XLogP0.53
TPSA170.19 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106598643
4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
CID 55264858
6-chloro-4-methoxy-1H-pyrazolo[5,4-b]pyridine
CID 150003062
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107171739
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102741163
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 56706662
2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
CID 11644056
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 114157121
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 157231027) is 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine is COc1nc(N)nc2[nH]ncc12.Nc1nc(Cl)c2cn[nH]c2n1.
What is the InChIKey of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is AUCHWUXRUMBWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.C5H4ClN5/c1-12-5-3-2-8-11-4(3)9-6(7)10-5;6-3-2-1-8-11-4(2)10-5(7)9-3/h2H,1H3,(H3,7,8,9,10,11);1H,(H3,7,8,9,10,11).
What are the key properties of 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 334.73 g/mol, XLogP of 0.53, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 157231027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).