4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid

C12H20N4O2 — CID 64830834

IUPAC4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
SMILESCN(C)c1nccc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C12H20N4O2/c1-12(2,7-5-10(17)18)15-9-6-8-13-11(14-9)16(3)4/h6,8H,5,7H2,1-4H3,(H,17,18)(H,13,14,15)
InChIKeyKZASZRQYSZBXBS-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.60
Rot. Bonds6

About 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid

4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid (PubChem CID 64830834) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
PubChem CID64830834
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
SMILESCN(C)c1nccc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C12H20N4O2/c1-12(2,7-5-10(17)18)15-9-6-8-13-11(14-9)16(3)4/h6,8H,5,7H2,1-4H3,(H,17,18)(H,13,14,15)
InChIKeyKZASZRQYSZBXBS-UHFFFAOYSA-N
XLogP1.60
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(dimethylamino)pyrimidin-4-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65266280
6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid
CID 64830641
4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
CID 122059092
4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 64589746
3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 64701760
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
2-[[[2-(dimethylamino)pyrimidin-4-yl]amino]methyl]butanoic acid
CID 65226729
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide
CID 104925840
4-N-(1-chloro-2-methylbutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 65028759
4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 106142001
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid (CID 64830834) is 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid is CN(C)c1nccc(NC(C)(C)CCC(=O)O)n1.
What is the InChIKey of 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
The InChIKey is KZASZRQYSZBXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,7-5-10(17)18)15-9-6-8-13-11(14-9)16(3)4/h6,8H,5,7H2,1-4H3,(H,17,18)(H,13,14,15).
What are the key properties of 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid?
4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 64830834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).