6-pentan-2-yloxypyrimidine-2,4-diamine

C9H16N4O — CID 102989471

IUPAC6-pentan-2-yloxypyrimidine-2,4-diamine
SMILESCCCC(C)Oc1cc(N)nc(N)n1
InChIInChI=1S/C9H16N4O/c1-3-4-6(2)14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13)
InChIKeyMRURLEXILFPCSC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.21
Rot. Bonds4

About 6-pentan-2-yloxypyrimidine-2,4-diamine

6-pentan-2-yloxypyrimidine-2,4-diamine (PubChem CID 102989471) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-pentan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-pentan-2-yloxypyrimidine-2,4-diamine
PubChem CID102989471
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name6-pentan-2-yloxypyrimidine-2,4-diamine
SMILESCCCC(C)Oc1cc(N)nc(N)n1
InChIInChI=1S/C9H16N4O/c1-3-4-6(2)14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13)
InChIKeyMRURLEXILFPCSC-UHFFFAOYSA-N
XLogP1.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 6-pentan-2-yloxypyrimidine-2,4-diamine (CID 102989471) is 6-pentan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 6-pentan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 6-pentan-2-yloxypyrimidine-2,4-diamine is CCCC(C)Oc1cc(N)nc(N)n1.
What is the InChIKey of 6-pentan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is MRURLEXILFPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-6(2)14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13).
What are the key properties of 6-pentan-2-yloxypyrimidine-2,4-diamine?
6-pentan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 102989471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).