2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C21H20Cl2N6O3 — CID 59275786

IUPAC2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1cc(COc2cc(Cl)cc(Cl)c2-c2nc(N)nc3c2CN(C(=O)NC2CC2)C3)no1
InChIInChI=1S/C21H20Cl2N6O3/c1-10-4-13(28-32-10)9-31-17-6-11(22)5-15(23)18(17)19-14-7-29(21(30)25-12-2-3-12)8-16(14)26-20(24)27-19/h4-6,12H,2-3,7-9H2,1H3,(H,25,30)(H2,24,26,27)
InChIKeyBPGXELXNTHXMHN-UHFFFAOYSA-N
MW475.34 g/mol
LogP4.10
Rot. Bonds5

About 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 59275786) has the molecular formula C21H20Cl2N6O3 and a molecular weight of 475.34 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID59275786
Molecular FormulaC21H20Cl2N6O3
Molecular Weight475.34 g/mol
Exact Mass474.10
IUPAC Name2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1cc(COc2cc(Cl)cc(Cl)c2-c2nc(N)nc3c2CN(C(=O)NC2CC2)C3)no1
InChIInChI=1S/C21H20Cl2N6O3/c1-10-4-13(28-32-10)9-31-17-6-11(22)5-15(23)18(17)19-14-7-29(21(30)25-12-2-3-12)8-16(14)26-20(24)27-19/h4-6,12H,2-3,7-9H2,1H3,(H,25,30)(H2,24,26,27)
InChIKeyBPGXELXNTHXMHN-UHFFFAOYSA-N
XLogP4.10
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 59275786) is 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1cc(COc2cc(Cl)cc(Cl)c2-c2nc(N)nc3c2CN(C(=O)NC2CC2)C3)no1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is BPGXELXNTHXMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N6O3/c1-10-4-13(28-32-10)9-31-17-6-11(22)5-15(23)18(17)19-14-7-29(21(30)25-12-2-3-12)8-16(14)26-20(24)27-19/h4-6,12H,2-3,7-9H2,1H3,(H,25,30)(H2,24,26,27).
What are the key properties of 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 475.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-[2,4-dichloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59275786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).