N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine

C16H14N4O — CID 663609

IUPACN-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
InChIInChI=1S/C16H14N4O/c1-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-21-11/h2-7,9,20H,8H2,1H3,(H,17,18,19)
InChIKeyFLHBVPJRICZNQL-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.62
Rot. Bonds3

About N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine

N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 663609) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID663609
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
InChIInChI=1S/C16H14N4O/c1-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-21-11/h2-7,9,20H,8H2,1H3,(H,17,18,19)
InChIKeyFLHBVPJRICZNQL-UHFFFAOYSA-N
XLogP3.62
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine (CID 663609) is N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine is Cc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is FLHBVPJRICZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-21-11/h2-7,9,20H,8H2,1H3,(H,17,18,19).
What are the key properties of N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 278.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 663609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).