8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one

C20H25N7O2 — CID 162667492

IUPAC8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one
SMILESO=C1CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc2N1
InChIInChI=1S/C20H25N7O2/c28-18-13-27(14-3-1-2-4-14)19-16(23-18)12-22-20(25-19)24-17-6-5-15(11-21-17)26-7-9-29-10-8-26/h5-6,11-12,14H,1-4,7-10,13H2,(H,23,28)(H,21,22,24,25)
InChIKeyRTLGEKYPBCVCMA-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.15
Rot. Bonds4

About 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one

8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one (PubChem CID 162667492) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one
PubChem CID162667492
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one
SMILESO=C1CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc2N1
InChIInChI=1S/C20H25N7O2/c28-18-13-27(14-3-1-2-4-14)19-16(23-18)12-22-20(25-19)24-17-6-5-15(11-21-17)26-7-9-29-10-8-26/h5-6,11-12,14H,1-4,7-10,13H2,(H,23,28)(H,21,22,24,25)
InChIKeyRTLGEKYPBCVCMA-UHFFFAOYSA-N
XLogP2.15
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one?
The IUPAC name of 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one (CID 162667492) is 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one?
The canonical SMILES for 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one is O=C1CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc2N1.
What is the InChIKey of 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one?
The InChIKey is RTLGEKYPBCVCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c28-18-13-27(14-3-1-2-4-14)19-16(23-18)12-22-20(25-19)24-17-6-5-15(11-21-17)26-7-9-29-10-8-26/h5-6,11-12,14H,1-4,7-10,13H2,(H,23,28)(H,21,22,24,25).
What are the key properties of 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one?
8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one has a molecular weight of 395.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 162667492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).