6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid

C13H22N4O2 — CID 64830641

IUPAC6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid
SMILESCC(CCNc1ccnc(N(C)C)n1)CCC(=O)O
InChIInChI=1S/C13H22N4O2/c1-10(4-5-12(18)19)6-8-14-11-7-9-15-13(16-11)17(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,18,19)(H,14,15,16)
InChIKeyXEJVMJJOIQUGSY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.85
Rot. Bonds8

About 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid

6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid (PubChem CID 64830641) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid
PubChem CID64830641
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid
SMILESCC(CCNc1ccnc(N(C)C)n1)CCC(=O)O
InChIInChI=1S/C13H22N4O2/c1-10(4-5-12(18)19)6-8-14-11-7-9-15-13(16-11)17(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,18,19)(H,14,15,16)
InChIKeyXEJVMJJOIQUGSY-UHFFFAOYSA-N
XLogP1.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid?
The IUPAC name of 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid (CID 64830641) is 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid is CC(CCNc1ccnc(N(C)C)n1)CCC(=O)O.
What is the InChIKey of 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid?
The InChIKey is XEJVMJJOIQUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(4-5-12(18)19)6-8-14-11-7-9-15-13(16-11)17(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,18,19)(H,14,15,16).
What are the key properties of 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid?
6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid is sourced from PubChem (CID 64830641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).