7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione

C14H19N5O3 — CID 45118792

IUPAC7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione
SMILESCn1c(=O)c2[nH]c(=O)c(NC3CCCCC3)nc2n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-18-11-9(13(21)19(2)14(18)22)16-12(20)10(17-11)15-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,15,17)(H,16,20)
InChIKeyDTMUKAVMTWPUDG-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.07
Rot. Bonds2

About 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione

7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione (PubChem CID 45118792) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione.

Molecular Properties

Compound Name7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione
PubChem CID45118792
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione
SMILESCn1c(=O)c2[nH]c(=O)c(NC3CCCCC3)nc2n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-18-11-9(13(21)19(2)14(18)22)16-12(20)10(17-11)15-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,15,17)(H,16,20)
InChIKeyDTMUKAVMTWPUDG-UHFFFAOYSA-N
XLogP0.07
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione?
The IUPAC name of 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione (CID 45118792) is 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione.
What is the SMILES notation for 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione?
The canonical SMILES for 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione is Cn1c(=O)c2[nH]c(=O)c(NC3CCCCC3)nc2n(C)c1=O.
What is the InChIKey of 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione?
The InChIKey is DTMUKAVMTWPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18-11-9(13(21)19(2)14(18)22)16-12(20)10(17-11)15-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,15,17)(H,16,20).
What are the key properties of 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione?
7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione has a molecular weight of 305.34 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-1,3-dimethyl-5H-pteridine-2,4,6-trione is sourced from PubChem (CID 45118792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).