2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine

C19H25N5O — CID 118742142

IUPAC2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2cncc3c2CCN(CC2CCOC2)C3)n1
InChIInChI=1S/C19H25N5O/c1-14-21-5-2-19(23-14)22-10-16-8-20-9-17-12-24(6-3-18(16)17)11-15-4-7-25-13-15/h2,5,8-9,15H,3-4,6-7,10-13H2,1H3,(H,21,22,23)
InChIKeyGJECVSQCUVKKLF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds5

About 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine

2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 118742142) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
PubChem CID118742142
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1nccc(NCc2cncc3c2CCN(CC2CCOC2)C3)n1
InChIInChI=1S/C19H25N5O/c1-14-21-5-2-19(23-14)22-10-16-8-20-9-17-12-24(6-3-18(16)17)11-15-4-7-25-13-15/h2,5,8-9,15H,3-4,6-7,10-13H2,1H3,(H,21,22,23)
InChIKeyGJECVSQCUVKKLF-UHFFFAOYSA-N
XLogP2.19
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine (CID 118742142) is 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine is Cc1nccc(NCc2cncc3c2CCN(CC2CCOC2)C3)n1.
What is the InChIKey of 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is GJECVSQCUVKKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-21-5-2-19(23-14)22-10-16-8-20-9-17-12-24(6-3-18(16)17)11-15-4-7-25-13-15/h2,5,8-9,15H,3-4,6-7,10-13H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 118742142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).