N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide

C13H21N5O2 — CID 73168076

IUPACN-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C13H21N5O2/c1-4-5-11(19)16-9-12(20)15-8-10-6-7-14-13(17-10)18(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyYBFHGNYMFJTNQY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.08
Rot. Bonds7

About N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide

N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide (PubChem CID 73168076) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide
PubChem CID73168076
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C13H21N5O2/c1-4-5-11(19)16-9-12(20)15-8-10-6-7-14-13(17-10)18(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyYBFHGNYMFJTNQY-UHFFFAOYSA-N
XLogP0.08
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide (CID 73168076) is N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide?
The InChIKey is YBFHGNYMFJTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-5-11(19)16-9-12(20)15-8-10-6-7-14-13(17-10)18(2)3/h6-7H,4-5,8-9H2,1-3H3,(H,15,20)(H,16,19).
What are the key properties of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide?
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide has a molecular weight of 279.34 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 73168076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).