5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine

C15H15N7O — CID 53377727

IUPAC5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ncccc3n2)cn1
InChIInChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
InChIKeyNNPNFQBRMCHWBW-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.90
Rot. Bonds2

About 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine

5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine (PubChem CID 53377727) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
PubChem CID53377727
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3ncccc3n2)cn1
InChIInChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19)
InChIKeyNNPNFQBRMCHWBW-UHFFFAOYSA-N
XLogP0.90
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine (CID 53377727) is 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3ncccc3n2)cn1.
What is the InChIKey of 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine?
The InChIKey is NNPNFQBRMCHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c16-15-18-8-10(9-19-15)13-20-11-2-1-3-17-12(11)14(21-13)22-4-6-23-7-5-22/h1-3,8-9H,4-7H2,(H2,16,18,19).
What are the key properties of 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine?
5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine has a molecular weight of 309.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 53377727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).