6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine

C15H23N3O — CID 106795374

IUPAC6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
SMILESC#CC(C)Oc1nc(CCC)nc(NCCC)c1C
InChIInChI=1S/C15H23N3O/c1-6-9-13-17-14(16-10-7-2)12(5)15(18-13)19-11(4)8-3/h3,11H,6-7,9-10H2,1-2,4-5H3,(H,16,17,18)
InChIKeyMGZQUJZSQCIVIX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds7

About 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine

6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine (PubChem CID 106795374) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
PubChem CID106795374
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
SMILESC#CC(C)Oc1nc(CCC)nc(NCCC)c1C
InChIInChI=1S/C15H23N3O/c1-6-9-13-17-14(16-10-7-2)12(5)15(18-13)19-11(4)8-3/h3,11H,6-7,9-10H2,1-2,4-5H3,(H,16,17,18)
InChIKeyMGZQUJZSQCIVIX-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine
CID 106795704
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772924
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958

Frequently Asked Questions

What is the IUPAC name of 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine (CID 106795374) is 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine is C#CC(C)Oc1nc(CCC)nc(NCCC)c1C.
What is the InChIKey of 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine?
The InChIKey is MGZQUJZSQCIVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-9-13-17-14(16-10-7-2)12(5)15(18-13)19-11(4)8-3/h3,11H,6-7,9-10H2,1-2,4-5H3,(H,16,17,18).
What are the key properties of 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine?
6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 106795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).