4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine

C14H26N4O — CID 24845029

IUPAC4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine
SMILESCCC(C)N(CCOc1ccnc(N)n1)C(C)CC
InChIInChI=1S/C14H26N4O/c1-5-11(3)18(12(4)6-2)9-10-19-13-7-8-16-14(15)17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyUTGQKLXHXKZXGP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.34
Rot. Bonds8

About 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine

4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine (PubChem CID 24845029) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine
PubChem CID24845029
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine
SMILESCCC(C)N(CCOc1ccnc(N)n1)C(C)CC
InChIInChI=1S/C14H26N4O/c1-5-11(3)18(12(4)6-2)9-10-19-13-7-8-16-14(15)17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyUTGQKLXHXKZXGP-UHFFFAOYSA-N
XLogP2.34
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine (CID 24845029) is 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine is CCC(C)N(CCOc1ccnc(N)n1)C(C)CC.
What is the InChIKey of 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine?
The InChIKey is UTGQKLXHXKZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-11(3)18(12(4)6-2)9-10-19-13-7-8-16-14(15)17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine?
4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(butan-2-yl)amino]ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 24845029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).