N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide

C13H22N4O — CID 124754240

IUPACN,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(C)[C@@H](C)c1ccncn1
InChIInChI=1S/C13H22N4O/c1-5-17(6-2)13(18)9-16(4)11(3)12-7-8-14-10-15-12/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyNNLUJHFECUOACN-NSHDSACASA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds6

About N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide

N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide (PubChem CID 124754240) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
PubChem CID124754240
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide
SMILESCCN(CC)C(=O)CN(C)[C@@H](C)c1ccncn1
InChIInChI=1S/C13H22N4O/c1-5-17(6-2)13(18)9-16(4)11(3)12-7-8-14-10-15-12/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyNNLUJHFECUOACN-NSHDSACASA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide (CID 124754240) is N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide is CCN(CC)C(=O)CN(C)[C@@H](C)c1ccncn1.
What is the InChIKey of N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
The InChIKey is NNLUJHFECUOACN-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-17(6-2)13(18)9-16(4)11(3)12-7-8-14-10-15-12/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide?
N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 124754240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).