5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine

C16H29N3O — CID 80989305

IUPAC5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OCCC(C)C)c1C
InChIInChI=1S/C16H29N3O/c1-6-8-14-18-15(17-10-7-2)13(5)16(19-14)20-11-9-12(3)4/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyWBNGNKTYZLRADA-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.98
Rot. Bonds9

About 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine

5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine (PubChem CID 80989305) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
PubChem CID80989305
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OCCC(C)C)c1C
InChIInChI=1S/C16H29N3O/c1-6-8-14-18-15(17-10-7-2)13(5)16(19-14)20-11-9-12(3)4/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyWBNGNKTYZLRADA-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
5-methyl-6-(4-methylpentoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989042
6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 106795374
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine (CID 80989305) is 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(OCCC(C)C)c1C.
What is the InChIKey of 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is WBNGNKTYZLRADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-8-14-18-15(17-10-7-2)13(5)16(19-14)20-11-9-12(3)4/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine?
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80989305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).