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

C19H27Cl2N5O — CID 118742141

IUPAC2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCc1nccc(NCc2cncc3c2CCN(CC2CCOC2)C3)n1.Cl.Cl
InChIInChI=1S/C19H25N5O.2ClH/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);2*1H
InChIKeyAUMYORPXLNYDQZ-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.03
Rot. Bonds5

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

2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 118742141) has the molecular formula C19H27Cl2N5O and a molecular weight of 412.37 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;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride
PubChem CID118742141
Molecular FormulaC19H27Cl2N5O
Molecular Weight412.37 g/mol
Exact Mass411.16
IUPAC Name2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCc1nccc(NCc2cncc3c2CCN(CC2CCOC2)C3)n1.Cl.Cl
InChIInChI=1S/C19H25N5O.2ClH/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);2*1H
InChIKeyAUMYORPXLNYDQZ-UHFFFAOYSA-N
XLogP3.03
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.03
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;dihydrochloride?
The IUPAC name of 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride (CID 118742141) is 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride.
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;dihydrochloride?
The canonical SMILES for 2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride is Cc1nccc(NCc2cncc3c2CCN(CC2CCOC2)C3)n1.Cl.Cl.
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;dihydrochloride?
The InChIKey is AUMYORPXLNYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.2ClH/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);2*1H.
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;dihydrochloride?
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 412.37 g/mol, XLogP of 3.03, 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;dihydrochloride is sourced from PubChem (CID 118742141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).