tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate

C11H16N4O2 — CID 129452508

IUPACtert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNc2cncnc21
InChIInChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)15-5-4-13-8-6-12-7-14-9(8)15/h6-7,13H,4-5H2,1-3H3
InChIKeyYSJCBFKMWKELJK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.64
Rot. Bonds

About tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate

tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate (PubChem CID 129452508) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate
PubChem CID129452508
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nametert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNc2cncnc21
InChIInChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)15-5-4-13-8-6-12-7-14-9(8)15/h6-7,13H,4-5H2,1-3H3
InChIKeyYSJCBFKMWKELJK-UHFFFAOYSA-N
XLogP1.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-Dihydropteridine-6,7-dione
CID 10820906
tert-Butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 21934614
8-Methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232646
6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
8-Cyclopropyl-2-(ethylamino)pteridin-7-one
CID 3235374
Tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 49857006
3-(7-Oxo-2-piperazin-1-ylpteridin-8-yl)propanenitrile
CID 3233158
8-Cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one
CID 3233539
2-(Ethylamino)-6,8-dimethylpteridin-7-one
CID 3233743
3-(6-Methyl-7-oxo-2-piperazin-1-ylpteridin-8-yl)propanenitrile
CID 3233991
8-Cyclopropyl-2-piperazin-1-ylpteridin-7-one
CID 3234693

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate?
The IUPAC name of tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate (CID 129452508) is tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate.
What is the SMILES notation for tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate?
The canonical SMILES for tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate is CC(C)(C)OC(=O)N1CCNc2cncnc21.
What is the InChIKey of tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate?
The InChIKey is YSJCBFKMWKELJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)15-5-4-13-8-6-12-7-14-9(8)15/h6-7,13H,4-5H2,1-3H3.
What are the key properties of tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate?
tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,7-dihydro-5H-pteridine-8-carboxylate is sourced from PubChem (CID 129452508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).