3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione

C17H20N6O2 — CID 53011121

IUPAC3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN(C)CCCn1c(=O)c2cnc(-c3ccncc3)nc2n(C)c1=O
InChIInChI=1S/C17H20N6O2/c1-21(2)9-4-10-23-16(24)13-11-19-14(12-5-7-18-8-6-12)20-15(13)22(3)17(23)25/h5-8,11H,4,9-10H2,1-3H3
InChIKeyVYQNMMJZHBRJQE-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.50
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione

3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 53011121) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID53011121
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN(C)CCCn1c(=O)c2cnc(-c3ccncc3)nc2n(C)c1=O
InChIInChI=1S/C17H20N6O2/c1-21(2)9-4-10-23-16(24)13-11-19-14(12-5-7-18-8-6-12)20-15(13)22(3)17(23)25/h5-8,11H,4,9-10H2,1-3H3
InChIKeyVYQNMMJZHBRJQE-UHFFFAOYSA-N
XLogP0.50
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 53011121) is 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione is CN(C)CCCn1c(=O)c2cnc(-c3ccncc3)nc2n(C)c1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is VYQNMMJZHBRJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-21(2)9-4-10-23-16(24)13-11-19-14(12-5-7-18-8-6-12)20-15(13)22(3)17(23)25/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione?
3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 340.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53011121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).