N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide

C16H19ClN4O — CID 142259333

IUPACN-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccc(C)cc2)nc(Cl)c1C
InChIInChI=1S/C16H19ClN4O/c1-10-4-6-13(7-5-10)16-20-14(17)11(2)15(21-16)19-9-8-18-12(3)22/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMEODCVKZDIRPTH-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 142259333) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID142259333
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccc(C)cc2)nc(Cl)c1C
InChIInChI=1S/C16H19ClN4O/c1-10-4-6-13(7-5-10)16-20-14(17)11(2)15(21-16)19-9-8-18-12(3)22/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMEODCVKZDIRPTH-UHFFFAOYSA-N
XLogP2.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
N-benzyl-4-(benzylamino)-6-chloro-2-(methylthio)pyrimidine-5-carboxamide
CID 15979459
N*4*-Benzyl-6-chloro-pyrimidine-2,4-diamine
CID 1484270
N-[2-[[5-[2-[(dimethylamino)methyl]phenyl]pyrimidin-4-yl]amino]ethyl]acetamide
CID 3232983
N-[2-[[2-(2-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 3233520
N-benzyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80971045
N-(4-((4-(Pyrimidin-2-yl)piperazin-1-yl)methyl)phenylmethyl)acetamide
CID 11702585
N'-[[3-[4-chloro-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine
CID 146188265
N-[1-[4-[2-(5-chloropyrimidin-2-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 90429501
6-Chloro-n4-(4-methylbenzyl)pyrimidine-2,4-diamine
CID 14257437
1-[4-(4-(Benzylamino)pyrimidin-2-yl)piperazin-1-yl]ethanone
CID 54587266
N-[1-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]acetamide
CID 90677858

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide (CID 142259333) is N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccc(C)cc2)nc(Cl)c1C.
What is the InChIKey of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is MEODCVKZDIRPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-4-6-13(7-5-10)16-20-14(17)11(2)15(21-16)19-9-8-18-12(3)22/h4-7H,8-9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 318.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 142259333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).