3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one

C10H11N5O — CID 135818395

IUPAC3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one
SMILESNc1nc2ncc3c(c2c(=O)[nH]1)CCNC3
InChIInChI=1S/C10H11N5O/c11-10-14-8-7(9(16)15-10)6-1-2-12-3-5(6)4-13-8/h4,12H,1-3H2,(H3,11,13,14,15,16)
InChIKeyUMEZAEXIQMYFJX-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.45
Rot. Bonds

About 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one

3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one (PubChem CID 135818395) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one.

Molecular Properties

Compound Name3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one
PubChem CID135818395
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one
SMILESNc1nc2ncc3c(c2c(=O)[nH]1)CCNC3
InChIInChI=1S/C10H11N5O/c11-10-14-8-7(9(16)15-10)6-1-2-12-3-5(6)4-13-8/h4,12H,1-3H2,(H3,11,13,14,15,16)
InChIKeyUMEZAEXIQMYFJX-UHFFFAOYSA-N
XLogP-0.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one?
The IUPAC name of 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one (CID 135818395) is 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one.
What is the SMILES notation for 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one?
The canonical SMILES for 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one is Nc1nc2ncc3c(c2c(=O)[nH]1)CCNC3.
What is the InChIKey of 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one?
The InChIKey is UMEZAEXIQMYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-10-14-8-7(9(16)15-10)6-1-2-12-3-5(6)4-13-8/h4,12H,1-3H2,(H3,11,13,14,15,16).
What are the key properties of 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one?
3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one has a molecular weight of 217.23 g/mol, XLogP of -0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one is sourced from PubChem (CID 135818395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).