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

C14H23N5O — CID 122293395

IUPAC2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCCNc1cc(NCCNC(=O)CC2CC2)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-3-15-12-9-13(19-10(2)18-12)16-6-7-17-14(20)8-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,17,20)(H2,15,16,18,19)
InChIKeyFRGMXMBKQJYMTF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds8

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

2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 122293395) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID122293395
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCCNc1cc(NCCNC(=O)CC2CC2)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-3-15-12-9-13(19-10(2)18-12)16-6-7-17-14(20)8-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,17,20)(H2,15,16,18,19)
InChIKeyFRGMXMBKQJYMTF-UHFFFAOYSA-N
XLogP1.55
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]pentanamide
CID 121074548
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324222
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
1-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methylphenyl)urea
CID 121074944
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122293384

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (CID 122293395) is 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is CCNc1cc(NCCNC(=O)CC2CC2)nc(C)n1.
What is the InChIKey of 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is FRGMXMBKQJYMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-15-12-9-13(19-10(2)18-12)16-6-7-17-14(20)8-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,17,20)(H2,15,16,18,19).
What are the key properties of 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122293395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).