2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide

C14H23N5O — CID 122293653

IUPAC2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)CC2CC2)cc(N(C)C)n1
InChIInChI=1S/C14H23N5O/c1-10-17-12(9-13(18-10)19(2)3)15-6-7-16-14(20)8-11-4-5-11/h9,11H,4-8H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyCZFACJKAFSQFFE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds7

About 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide

2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 122293653) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID122293653
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)CC2CC2)cc(N(C)C)n1
InChIInChI=1S/C14H23N5O/c1-10-17-12(9-13(18-10)19(2)3)15-6-7-16-14(20)8-11-4-5-11/h9,11H,4-8H2,1-3H3,(H,16,20)(H,15,17,18)
InChIKeyCZFACJKAFSQFFE-UHFFFAOYSA-N
XLogP1.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (CID 122293653) is 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is Cc1nc(NCCNC(=O)CC2CC2)cc(N(C)C)n1.
What is the InChIKey of 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is CZFACJKAFSQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-17-12(9-13(18-10)19(2)3)15-6-7-16-14(20)8-11-4-5-11/h9,11H,4-8H2,1-3H3,(H,16,20)(H,15,17,18).
What are the key properties of 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122293653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).