N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine

C19H18N4O — CID 931085

IUPACN-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc(CCNc2ncnc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H18N4O/c1-24-14-8-6-13(7-9-14)10-11-20-19-18-17(21-12-22-19)15-4-2-3-5-16(15)23-18/h2-9,12,23H,10-11H2,1H3,(H,20,21,22)
InChIKeyKAJUUTYPWQNOSN-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine

N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 931085) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID931085
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc(CCNc2ncnc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H18N4O/c1-24-14-8-6-13(7-9-14)10-11-20-19-18-17(21-12-22-19)15-4-2-3-5-16(15)23-18/h2-9,12,23H,10-11H2,1H3,(H,20,21,22)
InChIKeyKAJUUTYPWQNOSN-UHFFFAOYSA-N
XLogP3.77
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine (CID 931085) is N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine is COc1ccc(CCNc2ncnc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is KAJUUTYPWQNOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-24-14-8-6-13(7-9-14)10-11-20-19-18-17(21-12-22-19)15-4-2-3-5-16(15)23-18/h2-9,12,23H,10-11H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 318.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 931085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).