N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide

C19H27N5O — CID 109353919

IUPACN-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NC(C)(C)C)ncn2)cc1
InChIInChI=1S/C19H27N5O/c1-6-24(7-2)15-10-8-14(9-11-15)22-17-12-16(20-13-21-17)18(25)23-19(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,25)(H,20,21,22)
InChIKeyBAIINUQUMFCJNC-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.59
Rot. Bonds6

About N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide

N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide (PubChem CID 109353919) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
PubChem CID109353919
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NC(C)(C)C)ncn2)cc1
InChIInChI=1S/C19H27N5O/c1-6-24(7-2)15-10-8-14(9-11-15)22-17-12-16(20-13-21-17)18(25)23-19(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,25)(H,20,21,22)
InChIKeyBAIINUQUMFCJNC-UHFFFAOYSA-N
XLogP3.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.59
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

6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344009
N-(4-tert-butylphenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109357788
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide (CID 109353919) is N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)NC(C)(C)C)ncn2)cc1.
What is the InChIKey of N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide?
The InChIKey is BAIINUQUMFCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-6-24(7-2)15-10-8-14(9-11-15)22-17-12-16(20-13-21-17)18(25)23-19(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,25)(H,20,21,22).
What are the key properties of N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide?
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).