2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide

C17H21ClN4O — CID 109309788

IUPAC2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nccc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4O/c1-17(2,3)22-16-20-11-9-14(21-16)15(23)19-10-8-12-4-6-13(18)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyONTQRQLCHFTMCC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.31
Rot. Bonds5

About 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide

2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109309788) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109309788
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1nccc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H21ClN4O/c1-17(2,3)22-16-20-11-9-14(21-16)15(23)19-10-8-12-4-6-13(18)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyONTQRQLCHFTMCC-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295966
N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304200
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305390
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304065
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109309788) is 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide is CC(C)(C)Nc1nccc(C(=O)NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is ONTQRQLCHFTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-17(2,3)22-16-20-11-9-14(21-16)15(23)19-10-8-12-4-6-13(18)7-5-12/h4-7,9,11H,8,10H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.31, 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-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109309788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).