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

C21H27N7O3 — CID 59359801

IUPAC4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one
SMILESNc1nc(OC2CCCC2)nc2c1NC(=O)CN2Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H27N7O3/c22-19-18-20(26-21(25-19)31-15-3-1-2-4-15)28(13-17(29)24-18)12-14-5-6-23-16(11-14)27-7-9-30-10-8-27/h5-6,11,15H,1-4,7-10,12-13H2,(H,24,29)(H2,22,25,26)
InChIKeyADACFUSZAOQSCP-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.57
Rot. Bonds5

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

4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one (PubChem CID 59359801) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one
PubChem CID59359801
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Name4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one
SMILESNc1nc(OC2CCCC2)nc2c1NC(=O)CN2Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H27N7O3/c22-19-18-20(26-21(25-19)31-15-3-1-2-4-15)28(13-17(29)24-18)12-14-5-6-23-16(11-14)27-7-9-30-10-8-27/h5-6,11,15H,1-4,7-10,12-13H2,(H,24,29)(H2,22,25,26)
InChIKeyADACFUSZAOQSCP-UHFFFAOYSA-N
XLogP1.57
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one with MolForge

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Related Compounds

4-amino-2-butoxy-8-[(4-pyrrolidin-1-ylphenyl)methyl]-5,7-dihydropteridin-6-one
CID 126622875
4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one
CID 59359962
4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
CID 59359775
4-amino-2-[(3R)-3-deuteriobutoxy]-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 159031779
4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 157094266
4-amino-2-butoxy-8-[[4-[deuterio(pyrrolidin-1-yl)methyl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 158723870
4-amino-2-butoxy-8-[[2-(cyclobutylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-8-[1-(4-isocyanophenyl)ethyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-cyclopentyloxy-6-methylidene-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
CID 161341357
carbanide;cyclopentanol;ethyl 2-[(6-amino-2-cyclopentyloxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;vanadium;yttrium
CID 159592771
4-amino-8-[dideuterio-[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)-5,7-dihydropteridin-6-one
CID 157107779
CID 160643613
CID 160643613
4-amino-8-benzyl-2-iodo-5,7-dihydropteridin-6-one
CID 147196172
4-cyclohexyloxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80858635

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The IUPAC name of 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one (CID 59359801) is 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one is Nc1nc(OC2CCCC2)nc2c1NC(=O)CN2Cc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
The InChIKey is ADACFUSZAOQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3/c22-19-18-20(26-21(25-19)31-15-3-1-2-4-15)28(13-17(29)24-18)12-14-5-6-23-16(11-14)27-7-9-30-10-8-27/h5-6,11,15H,1-4,7-10,12-13H2,(H,24,29)(H2,22,25,26).
What are the key properties of 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one?
4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one has a molecular weight of 425.49 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 59359801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).