N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide

C15H26N4O — CID 146603416

IUPACN-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
SMILESCCCC(C)(C)Nc1ncc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C15H26N4O/c1-7-8-15(5,6)19-13-16-9-11(10-17-13)12(20)18-14(2,3)4/h9-10H,7-8H2,1-6H3,(H,18,20)(H,16,17,19)
InChIKeyQSPCUZMOVUMEEI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.00
Rot. Bonds5

About N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide

N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 146603416) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID146603416
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
SMILESCCCC(C)(C)Nc1ncc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C15H26N4O/c1-7-8-15(5,6)19-13-16-9-11(10-17-13)12(20)18-14(2,3)4/h9-10H,7-8H2,1-6H3,(H,18,20)(H,16,17,19)
InChIKeyQSPCUZMOVUMEEI-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109262837
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 146665893
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262959
N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide
CID 90777305
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide (CID 146603416) is N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide is CCCC(C)(C)Nc1ncc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is QSPCUZMOVUMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-7-8-15(5,6)19-13-16-9-11(10-17-13)12(20)18-14(2,3)4/h9-10H,7-8H2,1-6H3,(H,18,20)(H,16,17,19).
What are the key properties of N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide?
N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 146603416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).