7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine

C19H18N4O2 — CID 907638

IUPAC7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc(CNc2ncnc3c2[nH]c2cc(OC)ccc23)cc1
InChIInChI=1S/C19H18N4O2/c1-24-13-5-3-12(4-6-13)10-20-19-18-17(21-11-22-19)15-8-7-14(25-2)9-16(15)23-18/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)
InChIKeyPSNREPOQSQLAPV-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.74
Rot. Bonds5

About 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine

7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 907638) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID907638
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc(CNc2ncnc3c2[nH]c2cc(OC)ccc23)cc1
InChIInChI=1S/C19H18N4O2/c1-24-13-5-3-12(4-6-13)10-20-19-18-17(21-11-22-19)15-8-7-14(25-2)9-16(15)23-18/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)
InChIKeyPSNREPOQSQLAPV-UHFFFAOYSA-N
XLogP3.74
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine (CID 907638) is 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine is COc1ccc(CNc2ncnc3c2[nH]c2cc(OC)ccc23)cc1.
What is the InChIKey of 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is PSNREPOQSQLAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-13-5-3-12(4-6-13)10-20-19-18-17(21-11-22-19)15-8-7-14(25-2)9-16(15)23-18/h3-9,11,23H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine?
7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-methoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 907638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).