N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

C12H17ClN4O — CID 113481443

IUPACN-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCc1c(Cl)ncnc1NCCNC(=O)C1CC1
InChIInChI=1S/C12H17ClN4O/c1-2-9-10(13)16-7-17-11(9)14-5-6-15-12(18)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyOYQZCJRYOYYOIO-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.63
Rot. Bonds6

About N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113481443) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113481443
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCc1c(Cl)ncnc1NCCNC(=O)C1CC1
InChIInChI=1S/C12H17ClN4O/c1-2-9-10(13)16-7-17-11(9)14-5-6-15-12(18)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyOYQZCJRYOYYOIO-UHFFFAOYSA-N
XLogP1.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.63
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-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305779
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
N-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 105367149
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
N-[2-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 32956182
1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 55229121

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 113481443) is N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is CCc1c(Cl)ncnc1NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is OYQZCJRYOYYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-9-10(13)16-7-17-11(9)14-5-6-15-12(18)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).