4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine

C20H18N6O2 — CID 68913046

IUPAC4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ncc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c(OC)n1
InChIInChI=1S/C20H18N6O2/c1-27-18-13(11-22-20(26-18)28-2)14-8-9-15-17(23-14)16(25-19(21)24-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,21,24,25)
InChIKeyRUDSNPNRZSRQGV-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.67
Rot. Bonds5

About 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine

4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68913046) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID68913046
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ncc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c(OC)n1
InChIInChI=1S/C20H18N6O2/c1-27-18-13(11-22-20(26-18)28-2)14-8-9-15-17(23-14)16(25-19(21)24-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,21,24,25)
InChIKeyRUDSNPNRZSRQGV-UHFFFAOYSA-N
XLogP2.67
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine (CID 68913046) is 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine is COc1ncc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c(OC)n1.
What is the InChIKey of 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is RUDSNPNRZSRQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-27-18-13(11-22-20(26-18)28-2)14-8-9-15-17(23-14)16(25-19(21)24-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,21,24,25).
What are the key properties of 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 374.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68913046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).