4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid

C14H25N5O2 — CID 122059092

IUPAC4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)c1nc(NC(C)(C)CCC(=O)O)nc(N(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-9(2)11-15-12(17-13(16-11)19(5)6)18-14(3,4)8-7-10(20)21/h9H,7-8H2,1-6H3,(H,20,21)(H,15,16,17,18)
InChIKeyDOMJMKWPQTWZHT-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.12
Rot. Bonds7

About 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid

4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid (PubChem CID 122059092) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
PubChem CID122059092
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)c1nc(NC(C)(C)CCC(=O)O)nc(N(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-9(2)11-15-12(17-13(16-11)19(5)6)18-14(3,4)8-7-10(20)21/h9H,7-8H2,1-6H3,(H,20,21)(H,15,16,17,18)
InChIKeyDOMJMKWPQTWZHT-UHFFFAOYSA-N
XLogP2.12
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 64830834
N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 133432157
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
3-[[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]methyl]-N-methylbenzamide
CID 133418388
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106098081
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 112634446
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62963353
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
4-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133420627
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 133433586

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid (CID 122059092) is 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid is CC(C)c1nc(NC(C)(C)CCC(=O)O)nc(N(C)C)n1.
What is the InChIKey of 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The InChIKey is DOMJMKWPQTWZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9(2)11-15-12(17-13(16-11)19(5)6)18-14(3,4)8-7-10(20)21/h9H,7-8H2,1-6H3,(H,20,21)(H,15,16,17,18).
What are the key properties of 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid has a molecular weight of 295.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122059092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).