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

C19H21N7 — CID 97389777

IUPAC2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1cnc(N2CCc3c(CNc4ccnc(C)n4)cncc3C2)nc1
InChIInChI=1S/C19H21N7/c1-13-7-23-19(24-8-13)26-6-4-17-15(9-20-10-16(17)12-26)11-22-18-3-5-21-14(2)25-18/h3,5,7-10H,4,6,11-12H2,1-2H3,(H,21,22,25)
InChIKeyHYVTVICUQNLPIM-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.45
Rot. Bonds4

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

2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 97389777) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
PubChem CID97389777
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1cnc(N2CCc3c(CNc4ccnc(C)n4)cncc3C2)nc1
InChIInChI=1S/C19H21N7/c1-13-7-23-19(24-8-13)26-6-4-17-15(9-20-10-16(17)12-26)11-22-18-3-5-21-14(2)25-18/h3,5,7-10H,4,6,11-12H2,1-2H3,(H,21,22,25)
InChIKeyHYVTVICUQNLPIM-UHFFFAOYSA-N
XLogP2.45
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine (CID 97389777) is 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine is Cc1cnc(N2CCc3c(CNc4ccnc(C)n4)cncc3C2)nc1.
What is the InChIKey of 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is HYVTVICUQNLPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-13-7-23-19(24-8-13)26-6-4-17-15(9-20-10-16(17)12-26)11-22-18-3-5-21-14(2)25-18/h3,5,7-10H,4,6,11-12H2,1-2H3,(H,21,22,25).
What are the key properties of 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine?
2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 347.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).