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

C14H25N5O — CID 80957506

IUPAC3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCNc1cc(NCCC(=O)N(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-17-10(15-4)9-11(18-13)16-8-7-12(20)19(5)6/h9H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyQZPHYNKPXUDSMN-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.71
Rot. Bonds5

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

3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 80957506) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID80957506
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCNc1cc(NCCC(=O)N(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N5O/c1-14(2,3)13-17-10(15-4)9-11(18-13)16-8-7-12(20)19(5)6/h9H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyQZPHYNKPXUDSMN-UHFFFAOYSA-N
XLogP1.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 80957506) is 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CNc1cc(NCCC(=O)N(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is QZPHYNKPXUDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)13-17-10(15-4)9-11(18-13)16-8-7-12(20)19(5)6/h9H,7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80957506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).