5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C15H25ClN4O — CID 103719266

IUPAC5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCN(CC)CCNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C15H25ClN4O/c1-5-8-20(6-2)9-7-17-15(21)13-12(16)10-18-14(19-13)11(3)4/h10-11H,5-9H2,1-4H3,(H,17,21)
InChIKeyMMKFMFZUWGFFDN-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.72
Rot. Bonds8

About 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103719266) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103719266
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCN(CC)CCNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C15H25ClN4O/c1-5-8-20(6-2)9-7-17-15(21)13-12(16)10-18-14(19-13)11(3)4/h10-11H,5-9H2,1-4H3,(H,17,21)
InChIKeyMMKFMFZUWGFFDN-UHFFFAOYSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858726
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
ethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoate
CID 47462370
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857022
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 103719266) is 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CCCN(CC)CCNC(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MMKFMFZUWGFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-5-8-20(6-2)9-7-17-15(21)13-12(16)10-18-14(19-13)11(3)4/h10-11H,5-9H2,1-4H3,(H,17,21).
What are the key properties of 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103719266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).