6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one

C16H16N6O — CID 58167367

IUPAC6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
SMILESNc1ncc(-c2cc3cc[nH]c(=O)c3c(NCC3CC3)n2)cn1
InChIInChI=1S/C16H16N6O/c17-16-20-7-11(8-21-16)12-5-10-3-4-18-15(23)13(10)14(22-12)19-6-9-1-2-9/h3-5,7-9H,1-2,6H2,(H,18,23)(H,19,22)(H2,17,20,21)
InChIKeyRRONNKNNHZWXCA-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.78
Rot. Bonds4

About 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 58167367) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
PubChem CID58167367
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
SMILESNc1ncc(-c2cc3cc[nH]c(=O)c3c(NCC3CC3)n2)cn1
InChIInChI=1S/C16H16N6O/c17-16-20-7-11(8-21-16)12-5-10-3-4-18-15(23)13(10)14(22-12)19-6-9-1-2-9/h3-5,7-9H,1-2,6H2,(H,18,23)(H,19,22)(H2,17,20,21)
InChIKeyRRONNKNNHZWXCA-UHFFFAOYSA-N
XLogP1.78
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one (CID 58167367) is 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one is Nc1ncc(-c2cc3cc[nH]c(=O)c3c(NCC3CC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is RRONNKNNHZWXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-16-20-7-11(8-21-16)12-5-10-3-4-18-15(23)13(10)14(22-12)19-6-9-1-2-9/h3-5,7-9H,1-2,6H2,(H,18,23)(H,19,22)(H2,17,20,21).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 308.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).