2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide

C19H25N5O — CID 109263034

IUPAC2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C19H25N5O/c1-19(2,3)23-18-20-12-14(13-21-18)17(25)22-15-6-8-16(9-7-15)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyOEVQUESBYDCXNI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds4

About 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide

2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109263034) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109263034
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C19H25N5O/c1-19(2,3)23-18-20-12-14(13-21-18)17(25)22-15-6-8-16(9-7-15)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyOEVQUESBYDCXNI-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109262998
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
2-[3-(dimethylamino)propylamino]-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109253609
2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109265440
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
CID 109263032
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-(2,6-dimethylphenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109267034
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide (CID 109263034) is 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide is CC(C)(C)Nc1ncc(C(=O)Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is OEVQUESBYDCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-19(2,3)23-18-20-12-14(13-21-18)17(25)22-15-6-8-16(9-7-15)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).