6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide

C17H20Cl2N4O — CID 109353733

IUPAC6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C17H20Cl2N4O/c1-17(2,3)23-15-9-14(21-10-22-15)16(24)20-7-6-11-4-5-12(18)8-13(11)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyKGQZZGZEVZOLHL-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.97
Rot. Bonds5

About 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide

6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109353733) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109353733
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C17H20Cl2N4O/c1-17(2,3)23-15-9-14(21-10-22-15)16(24)20-7-6-11-4-5-12(18)8-13(11)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyKGQZZGZEVZOLHL-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109355489
2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109332615
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
N-[2-(2,4-dichlorophenyl)ethyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109484
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183900

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109353733) is 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide is CC(C)(C)Nc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is KGQZZGZEVZOLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-17(2,3)23-15-9-14(21-10-22-15)16(24)20-7-6-11-4-5-12(18)8-13(11)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide?
6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109353733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).