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

C18H22Cl2N4O — CID 109332615

IUPAC2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C18H22Cl2N4O/c1-11-9-15(23-17(22-11)24-18(2,3)4)16(25)21-8-7-12-5-6-13(19)10-14(12)20/h5-6,9-10H,7-8H2,1-4H3,(H,21,25)(H,22,23,24)
InChIKeyVOBBRNQZDGVUMA-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.27
Rot. Bonds5

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

2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109332615) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109332615
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C18H22Cl2N4O/c1-11-9-15(23-17(22-11)24-18(2,3)4)16(25)21-8-7-12-5-6-13(19)10-14(12)20/h5-6,9-10H,7-8H2,1-4H3,(H,21,25)(H,22,23,24)
InChIKeyVOBBRNQZDGVUMA-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109353733
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079784
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330771
N-[2-(2,4-dichlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295997
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109332615) is 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is VOBBRNQZDGVUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-11-9-15(23-17(22-11)24-18(2,3)4)16(25)21-8-7-12-5-6-13(19)10-14(12)20/h5-6,9-10H,7-8H2,1-4H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).