6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide

C13H22N4O — CID 109353389

IUPAC6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-6-17(7-2)12(18)10-8-11(15-9-14-10)16-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyUTIWRLNLERDYSF-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.17
Rot. Bonds4

About 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide

6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide (PubChem CID 109353389) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
PubChem CID109353389
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-6-17(7-2)12(18)10-8-11(15-9-14-10)16-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyUTIWRLNLERDYSF-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353387
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
6-(3-chloro-4-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353435
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353448
6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109353739
N-benzyl-N-ethyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346785

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide (CID 109353389) is 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(NC(C)(C)C)ncn1.
What is the InChIKey of 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide?
The InChIKey is UTIWRLNLERDYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-6-17(7-2)12(18)10-8-11(15-9-14-10)16-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109353389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).