N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane

C14H23N5O2 — CID 90987961

IUPACN,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane
SMILESCC.CN(C)C(=O)CCCc1ncnc2c1NCC(=O)N2
InChIInChI=1S/C12H17N5O2.C2H6/c1-17(2)10(19)5-3-4-8-11-12(15-7-14-8)16-9(18)6-13-11;1-2/h7,13H,3-6H2,1-2H3,(H,14,15,16,18);1-2H3
InChIKeyRJVJIMCCVMIRGB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.28
Rot. Bonds4

About N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane

N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane (PubChem CID 90987961) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane
PubChem CID90987961
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane
SMILESCC.CN(C)C(=O)CCCc1ncnc2c1NCC(=O)N2
InChIInChI=1S/C12H17N5O2.C2H6/c1-17(2)10(19)5-3-4-8-11-12(15-7-14-8)16-9(18)6-13-11;1-2/h7,13H,3-6H2,1-2H3,(H,14,15,16,18);1-2H3
InChIKeyRJVJIMCCVMIRGB-UHFFFAOYSA-N
XLogP1.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-8-[2-(pyrrolidin-1-YL)ethyl]-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193746
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
4-(5,6,7,8-Tetrahydroquinazolin-4-yl)piperazin-2-one
CID 126851067
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 103879852
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103879908
3-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one
CID 103880018
5-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 103880187
3-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 108151457
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 108151671
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)-methylamino]-1-piperazin-1-ylethanone
CID 108151675
N-ethyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperazine-2-carboxamide
CID 108151831
5-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-6-methylpiperidin-2-one
CID 132307772

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane?
The IUPAC name of N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane (CID 90987961) is N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane.
What is the SMILES notation for N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane?
The canonical SMILES for N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane is CC.CN(C)C(=O)CCCc1ncnc2c1NCC(=O)N2.
What is the InChIKey of N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane?
The InChIKey is RJVJIMCCVMIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2.C2H6/c1-17(2)10(19)5-3-4-8-11-12(15-7-14-8)16-9(18)6-13-11;1-2/h7,13H,3-6H2,1-2H3,(H,14,15,16,18);1-2H3.
What are the key properties of N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane?
N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane has a molecular weight of 293.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)butanamide;ethane is sourced from PubChem (CID 90987961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).