3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide

C12H21N5O — CID 106098699

IUPAC3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCCc1nc(N)c(C)c(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C12H21N5O/c1-5-9-15-10(14)7(2)11(16-9)17-12(3,4)6-8(13)18/h5-6H2,1-4H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyNDTMIFVDKSJAOQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.00
Rot. Bonds5

About 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106098699) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106098699
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCCc1nc(N)c(C)c(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C12H21N5O/c1-5-9-15-10(14)7(2)11(16-9)17-12(3,4)6-8(13)18/h5-6H2,1-4H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyNDTMIFVDKSJAOQ-UHFFFAOYSA-N
XLogP1.00
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098849
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983064
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982855
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106098699) is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide is CCc1nc(N)c(C)c(NC(C)(C)CC(N)=O)n1.
What is the InChIKey of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is NDTMIFVDKSJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-9-15-10(14)7(2)11(16-9)17-12(3,4)6-8(13)18/h5-6H2,1-4H3,(H2,13,18)(H3,14,15,16,17).
What are the key properties of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).