1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine

C19H21N5O — CID 97463919

IUPAC1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine
SMILESCN(Cc1ccco1)Cc1cncc2c1CCN(c1ncccn1)C2
InChIInChI=1S/C19H21N5O/c1-23(14-17-4-2-9-25-17)12-15-10-20-11-16-13-24(8-5-18(15)16)19-21-6-3-7-22-19/h2-4,6-7,9-11H,5,8,12-14H2,1H3
InChIKeyRXVAVMIOBRGBLG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.66
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine

1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine (PubChem CID 97463919) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine
PubChem CID97463919
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine
SMILESCN(Cc1ccco1)Cc1cncc2c1CCN(c1ncccn1)C2
InChIInChI=1S/C19H21N5O/c1-23(14-17-4-2-9-25-17)12-15-10-20-11-16-13-24(8-5-18(15)16)19-21-6-3-7-22-19/h2-4,6-7,9-11H,5,8,12-14H2,1H3
InChIKeyRXVAVMIOBRGBLG-UHFFFAOYSA-N
XLogP2.66
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine (CID 97463919) is 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine is CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncccn1)C2.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine?
The InChIKey is RXVAVMIOBRGBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(14-17-4-2-9-25-17)12-15-10-20-11-16-13-24(8-5-18(15)16)19-21-6-3-7-22-19/h2-4,6-7,9-11H,5,8,12-14H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine?
1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine has a molecular weight of 335.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methyl]methanamine is sourced from PubChem (CID 97463919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).