8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one

C21H27N7O2 — CID 162658886

IUPAC8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
SMILESCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc21
InChIInChI=1S/C21H27N7O2/c1-26-17-13-23-21(25-20(17)28(14-19(26)29)15-4-2-3-5-15)24-18-7-6-16(12-22-18)27-8-10-30-11-9-27/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,22,23,24,25)
InChIKeyVSJDNUNUEGGPFI-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.18
Rot. Bonds4

About 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one

8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one (PubChem CID 162658886) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
PubChem CID162658886
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
SMILESCN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc21
InChIInChI=1S/C21H27N7O2/c1-26-17-13-23-21(25-20(17)28(14-19(26)29)15-4-2-3-5-15)24-18-7-6-16(12-22-18)27-8-10-30-11-9-27/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,22,23,24,25)
InChIKeyVSJDNUNUEGGPFI-UHFFFAOYSA-N
XLogP2.18
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one (CID 162658886) is 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one is CN1C(=O)CN(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cn3)ncc21.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
The InChIKey is VSJDNUNUEGGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-26-17-13-23-21(25-20(17)28(14-19(26)29)15-4-2-3-5-15)24-18-7-6-16(12-22-18)27-8-10-30-11-9-27/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,22,23,24,25).
What are the key properties of 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one?
8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one has a molecular weight of 409.49 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one is sourced from PubChem (CID 162658886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).