2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

C10H16ClN5O2 — CID 114049887

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C10H16ClN5O2/c1-6(10(17)13-3-4-18-2)16-9-7(11)8(12)14-5-15-9/h5-6H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyPPKIATISXNZEPH-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.28
Rot. Bonds6

About 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 114049887) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID114049887
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C10H16ClN5O2/c1-6(10(17)13-3-4-18-2)16-9-7(11)8(12)14-5-15-9/h5-6H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyPPKIATISXNZEPH-UHFFFAOYSA-N
XLogP0.28
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 114072700
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106958390
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)propanamide
CID 103076893
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041348
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (CID 114049887) is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is PPKIATISXNZEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-6(10(17)13-3-4-18-2)16-9-7(11)8(12)14-5-15-9/h5-6H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 273.72 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114049887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).