2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide

C14H23N5O2 — CID 135707428

IUPAC2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide
SMILESC[C@@H]1Nc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2N(C)[C@H]1C
InChIInChI=1S/C14H23N5O2/c1-7-8(2)19(6)9-10(15-7)16-13(17-11(9)20)18-12(21)14(3,4)5/h7-8H,1-6H3,(H3,15,16,17,18,20,21)/t7-,8-/m0/s1
InChIKeyCZBSHPURFSFINK-YUMQZZPRSA-N
MW293.37 g/mol
LogP1.39
Rot. Bonds1

About 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide

2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide (PubChem CID 135707428) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide
PubChem CID135707428
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide
SMILESC[C@@H]1Nc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2N(C)[C@H]1C
InChIInChI=1S/C14H23N5O2/c1-7-8(2)19(6)9-10(15-7)16-13(17-11(9)20)18-12(21)14(3,4)5/h7-8H,1-6H3,(H3,15,16,17,18,20,21)/t7-,8-/m0/s1
InChIKeyCZBSHPURFSFINK-YUMQZZPRSA-N
XLogP1.39
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide (CID 135707428) is 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide is C[C@@H]1Nc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2N(C)[C@H]1C.
What is the InChIKey of 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide?
The InChIKey is CZBSHPURFSFINK-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-7-8(2)19(6)9-10(15-7)16-13(17-11(9)20)18-12(21)14(3,4)5/h7-8H,1-6H3,(H3,15,16,17,18,20,21)/t7-,8-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide?
2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide is sourced from PubChem (CID 135707428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).