3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C14H25N5O — CID 80982844

IUPAC3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCC(=O)N(C)C
InChIInChI=1S/C14H25N5O/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-7-10(20)19(5)6/h7-8H2,1-6H3,(H3,15,16,17,18)
InChIKeyUWEXZDZRVAYAAF-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.55
Rot. Bonds4

About 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80982844) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80982844
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCc1c(N)nc(C(C)(C)C)nc1NCCC(=O)N(C)C
InChIInChI=1S/C14H25N5O/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-7-10(20)19(5)6/h7-8H2,1-6H3,(H3,15,16,17,18)
InChIKeyUWEXZDZRVAYAAF-UHFFFAOYSA-N
XLogP1.55
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424191
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80982285
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
CID 80993136
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
CID 80971178
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730182
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258482

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 80982844) is 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is Cc1c(N)nc(C(C)(C)C)nc1NCCC(=O)N(C)C.
What is the InChIKey of 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is UWEXZDZRVAYAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9-11(15)17-13(14(2,3)4)18-12(9)16-8-7-10(20)19(5)6/h7-8H2,1-6H3,(H3,15,16,17,18).
What are the key properties of 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80982844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).