6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C17H18N8O — CID 178075717

IUPAC6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2[nH]ncc12
InChIInChI=1S/C17H18N8O/c1-10-8-25(9-19-10)13-5-4-11(6-14(13)26-3)21-17-22-15(18-2)12-7-20-24-16(12)23-17/h4-9H,1-3H3,(H3,18,20,21,22,23,24)
InChIKeyBUXKZKUZXHFADK-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.64
Rot. Bonds5

About 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 178075717) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID178075717
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2[nH]ncc12
InChIInChI=1S/C17H18N8O/c1-10-8-25(9-19-10)13-5-4-11(6-14(13)26-3)21-17-22-15(18-2)12-7-20-24-16(12)23-17/h4-9H,1-3H3,(H3,18,20,21,22,23,24)
InChIKeyBUXKZKUZXHFADK-UHFFFAOYSA-N
XLogP2.64
TPSA105.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 178075710
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068
3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-6-amine
CID 178075751
methyl 4-[(4-chlorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3,5-triazine-2-carboxylate
CID 59278681
4-N-cyclopentyl-2-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-oxospiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2,4-diamine
CID 71260365
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-piperidin-1-ylspiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclohexane]-2-amine
CID 71260471
1-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[4,5-c]pyridin-4-amine
CID 178075767

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 178075717) is 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CNc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2[nH]ncc12.
What is the InChIKey of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is BUXKZKUZXHFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-10-8-25(9-19-10)13-5-4-11(6-14(13)26-3)21-17-22-15(18-2)12-7-20-24-16(12)23-17/h4-9H,1-3H3,(H3,18,20,21,22,23,24).
What are the key properties of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 350.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 178075717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).