2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide

C19H34ClN5OS — CID 42753930

IUPAC2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
SMILESCCN(CC)CCCC(C)NC(=O)CSc1nc(Cl)cc(N(CC)CC)n1
InChIInChI=1S/C19H34ClN5OS/c1-6-24(7-2)12-10-11-15(5)21-18(26)14-27-19-22-16(20)13-17(23-19)25(8-3)9-4/h13,15H,6-12,14H2,1-5H3,(H,21,26)
InChIKeySRMQUUMAHKWXAM-UHFFFAOYSA-N
MW416.04 g/mol
LogP3.69
Rot. Bonds13

About 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide

2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide (PubChem CID 42753930) has the molecular formula C19H34ClN5OS and a molecular weight of 416.04 g/mol. Its IUPAC name is 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
PubChem CID42753930
Molecular FormulaC19H34ClN5OS
Molecular Weight416.04 g/mol
Exact Mass415.22
IUPAC Name2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
SMILESCCN(CC)CCCC(C)NC(=O)CSc1nc(Cl)cc(N(CC)CC)n1
InChIInChI=1S/C19H34ClN5OS/c1-6-24(7-2)12-10-11-15(5)21-18(26)14-27-19-22-16(20)13-17(23-19)25(8-3)9-4/h13,15H,6-12,14H2,1-5H3,(H,21,26)
InChIKeySRMQUUMAHKWXAM-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.04
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7351315
2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4265319
N-benzhydryl-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetamide
CID 3983689
2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 4033276
2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 42763670
2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 42761527
2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 42753920
2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylethanone
CID 42753919
2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 42737717
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
2-[4-chloro-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 42754113
2-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 5037068

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
The IUPAC name of 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide (CID 42753930) is 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide.
What is the SMILES notation for 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
The canonical SMILES for 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide is CCN(CC)CCCC(C)NC(=O)CSc1nc(Cl)cc(N(CC)CC)n1.
What is the InChIKey of 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
The InChIKey is SRMQUUMAHKWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34ClN5OS/c1-6-24(7-2)12-10-11-15(5)21-18(26)14-27-19-22-16(20)13-17(23-19)25(8-3)9-4/h13,15H,6-12,14H2,1-5H3,(H,21,26).
What are the key properties of 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide?
2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide has a molecular weight of 416.04 g/mol, XLogP of 3.69, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide is sourced from PubChem (CID 42753930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).