5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine

C17H31N3O — CID 80989176

IUPAC5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OC(C)CC(C)C)c1C
InChIInChI=1S/C17H31N3O/c1-7-9-15-19-16(18-10-8-2)14(6)17(20-15)21-13(5)11-12(3)4/h12-13H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyKAKCPIQKVQUBJU-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.37
Rot. Bonds9

About 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine

5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine (PubChem CID 80989176) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
PubChem CID80989176
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OC(C)CC(C)C)c1C
InChIInChI=1S/C17H31N3O/c1-7-9-15-19-16(18-10-8-2)14(6)17(20-15)21-13(5)11-12(3)4/h12-13H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyKAKCPIQKVQUBJU-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 106795374
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
2-cyclopropyl-5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80988938
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860590
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine (CID 80989176) is 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(OC(C)CC(C)C)c1C.
What is the InChIKey of 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is KAKCPIQKVQUBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-9-15-19-16(18-10-8-2)14(6)17(20-15)21-13(5)11-12(3)4/h12-13H,7-11H2,1-6H3,(H,18,19,20).
What are the key properties of 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine?
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 293.45 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80989176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).