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

C16H14N4O2 — CID 942803

IUPACN-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
InChIInChI=1S/C16H14N4O2/c1-21-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-22-11/h2-7,9,20H,8H2,1H3,(H,17,18,19)
InChIKeyNBVXPAQAUTYTPT-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.32
Rot. Bonds4

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

N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 942803) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID942803
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
InChIInChI=1S/C16H14N4O2/c1-21-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-22-11/h2-7,9,20H,8H2,1H3,(H,17,18,19)
InChIKeyNBVXPAQAUTYTPT-UHFFFAOYSA-N
XLogP3.32
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine (CID 942803) is N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine is COc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is NBVXPAQAUTYTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-21-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-22-11/h2-7,9,20H,8H2,1H3,(H,17,18,19).
What are the key properties of N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine?
N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 294.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 942803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).