2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide

C10H15ClN4O3 — CID 154628246

IUPAC2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
SMILESCOCCOCCNc1nc(Cl)ncc1C(N)=O
InChIInChI=1S/C10H15ClN4O3/c1-17-4-5-18-3-2-13-9-7(8(12)16)6-14-10(11)15-9/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeySYECUKDRQKEBAO-UHFFFAOYSA-N
MW274.71 g/mol
LogP0.30
Rot. Bonds8

About 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide

2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide (PubChem CID 154628246) has the molecular formula C10H15ClN4O3 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
PubChem CID154628246
Molecular FormulaC10H15ClN4O3
Molecular Weight274.71 g/mol
Exact Mass274.08
IUPAC Name2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
SMILESCOCCOCCNc1nc(Cl)ncc1C(N)=O
InChIInChI=1S/C10H15ClN4O3/c1-17-4-5-18-3-2-13-9-7(8(12)16)6-14-10(11)15-9/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeySYECUKDRQKEBAO-UHFFFAOYSA-N
XLogP0.30
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755406
4-(but-3-enylamino)-2-chloropyrimidine-5-carboxamide
CID 138495192
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
CID 154628278
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628189
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethyl carbamate
CID 83203927
2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
CID 154628232
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 165112238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide (CID 154628246) is 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide is COCCOCCNc1nc(Cl)ncc1C(N)=O.
What is the InChIKey of 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is SYECUKDRQKEBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3/c1-17-4-5-18-3-2-13-9-7(8(12)16)6-14-10(11)15-9/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide?
2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).