5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide

C19H32ClN5O2 — CID 48655928

IUPAC5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NCC(CC(C)C)N2CCOCC2)n1
InChIInChI=1S/C19H32ClN5O2/c1-5-24(6-2)19-22-13-16(20)17(23-19)18(26)21-12-15(11-14(3)4)25-7-9-27-10-8-25/h13-15H,5-12H2,1-4H3,(H,21,26)
InChIKeyJNLYDNQQQGADRG-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.45
Rot. Bonds9

About 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide (PubChem CID 48655928) has the molecular formula C19H32ClN5O2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide
PubChem CID48655928
Molecular FormulaC19H32ClN5O2
Molecular Weight397.95 g/mol
Exact Mass397.22
IUPAC Name5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)NCC(CC(C)C)N2CCOCC2)n1
InChIInChI=1S/C19H32ClN5O2/c1-5-24(6-2)19-22-13-16(20)17(23-19)18(26)21-12-15(11-14(3)4)25-7-9-27-10-8-25/h13-15H,5-12H2,1-4H3,(H,21,26)
InChIKeyJNLYDNQQQGADRG-UHFFFAOYSA-N
XLogP2.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 48655504
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494
5-bromo-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 55521520
5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
CID 48659953
5-chloro-2-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050180
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2-oxazole-4-carboxamide
CID 42940218
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 46540829
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide (CID 48655928) is 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)NCC(CC(C)C)N2CCOCC2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide?
The InChIKey is JNLYDNQQQGADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN5O2/c1-5-24(6-2)19-22-13-16(20)17(23-19)18(26)21-12-15(11-14(3)4)25-7-9-27-10-8-25/h13-15H,5-12H2,1-4H3,(H,21,26).
What are the key properties of 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide has a molecular weight of 397.95 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 48655928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).