N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide

C20H29N5O — CID 109253568

IUPACN-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
SMILESCN(C)CCCNc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H29N5O/c1-20(2,3)16-7-9-17(10-8-16)24-18(26)15-13-22-19(23-14-15)21-11-6-12-25(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,26)(H,21,22,23)
InChIKeyGITPTFSJLFFOCB-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.39
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide

N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide (PubChem CID 109253568) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
PubChem CID109253568
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
SMILESCN(C)CCCNc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C20H29N5O/c1-20(2,3)16-7-9-17(10-8-16)24-18(26)15-13-22-19(23-14-15)21-11-6-12-25(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,26)(H,21,22,23)
InChIKeyGITPTFSJLFFOCB-UHFFFAOYSA-N
XLogP3.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577
2-[3-(dimethylamino)propylamino]-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109253609
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide (CID 109253568) is N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide is CN(C)CCCNc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
The InChIKey is GITPTFSJLFFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-20(2,3)16-7-9-17(10-8-16)24-18(26)15-13-22-19(23-14-15)21-11-6-12-25(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,26)(H,21,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide?
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).