(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione

C14H23N5O2 — CID 175856145

IUPAC(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione
SMILES[2H][C@]1(N)NC(=O)C2=C(N1)N(C1CCCC1)C(CC)C(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-3-9-13(21)18(2)10-11(16-14(15)17-12(10)20)19(9)8-6-4-5-7-8/h8-9,14,16H,3-7,15H2,1-2H3,(H,17,20)/t9?,14-/m1/s1/i14D
InChIKeyJAPAPDLCFSCNPR-IGTTYFHKSA-N
MW294.38 g/mol
LogP-0.39
Rot. Bonds2

About (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione

(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione (PubChem CID 175856145) has the molecular formula C14H23N5O2 and a molecular weight of 294.38 g/mol. Its IUPAC name is (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione.

Molecular Properties

Compound Name(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione
PubChem CID175856145
Molecular FormulaC14H23N5O2
Molecular Weight294.38 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione
SMILES[2H][C@]1(N)NC(=O)C2=C(N1)N(C1CCCC1)C(CC)C(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-3-9-13(21)18(2)10-11(16-14(15)17-12(10)20)19(9)8-6-4-5-7-8/h8-9,14,16H,3-7,15H2,1-2H3,(H,17,20)/t9?,14-/m1/s1/i14D
InChIKeyJAPAPDLCFSCNPR-IGTTYFHKSA-N
XLogP-0.39
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione?
The IUPAC name of (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione (CID 175856145) is (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione.
What is the SMILES notation for (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione?
The canonical SMILES for (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione is [2H][C@]1(N)NC(=O)C2=C(N1)N(C1CCCC1)C(CC)C(=O)N2C.
What is the InChIKey of (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione?
The InChIKey is JAPAPDLCFSCNPR-IGTTYFHKSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-9-13(21)18(2)10-11(16-14(15)17-12(10)20)19(9)8-6-4-5-7-8/h8-9,14,16H,3-7,15H2,1-2H3,(H,17,20)/t9?,14-/m1/s1/i14D.
What are the key properties of (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione?
(2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione has a molecular weight of 294.38 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-8-cyclopentyl-2-deuterio-7-ethyl-5-methyl-3,7-dihydro-1H-pteridine-4,6-dione is sourced from PubChem (CID 175856145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).