5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine

C16H29N3O — CID 102989455

IUPAC5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OC(C)CCC)c1C
InChIInChI=1S/C16H29N3O/c1-6-9-12(4)20-16-13(5)15(17-11-8-3)18-14(19-16)10-7-2/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyGILUITVMHLHISS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.13
Rot. Bonds9

About 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine

5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine (PubChem CID 102989455) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
PubChem CID102989455
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OC(C)CCC)c1C
InChIInChI=1S/C16H29N3O/c1-6-9-12(4)20-16-13(5)15(17-11-8-3)18-14(19-16)10-7-2/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyGILUITVMHLHISS-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine (CID 102989455) is 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(OC(C)CCC)c1C.
What is the InChIKey of 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine?
The InChIKey is GILUITVMHLHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-9-12(4)20-16-13(5)15(17-11-8-3)18-14(19-16)10-7-2/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine?
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 102989455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).