N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide

C14H24N4O — CID 133407556

IUPACN-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-9(2)12-8-13(16-7-6-15-11(5)19)18-14(17-12)10(3)4/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyXFRQHJWOJOSMPF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.27
Rot. Bonds6

About N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 133407556) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID133407556
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-9(2)12-8-13(16-7-6-15-11(5)19)18-14(17-12)10(3)4/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyXFRQHJWOJOSMPF-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
CID 83117246
2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]propanoic acid
CID 122058289
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80993574
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133409185
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97101804

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 133407556) is N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(C(C)C)nc(C(C)C)n1.
What is the InChIKey of N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is XFRQHJWOJOSMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)12-8-13(16-7-6-15-11(5)19)18-14(17-12)10(3)4/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 133407556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).