N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine

C14H23N3O — CID 80989853

IUPACN,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
SMILESC=CCCCOc1nc(CCC)nc(NC)c1C
InChIInChI=1S/C14H23N3O/c1-5-7-8-10-18-14-11(3)13(15-4)16-12(17-14)9-6-2/h5H,1,6-10H2,2-4H3,(H,15,16,17)
InChIKeyUKPXLUPPLHENSQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.12
Rot. Bonds8

About N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine

N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine (PubChem CID 80989853) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
PubChem CID80989853
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
SMILESC=CCCCOc1nc(CCC)nc(NC)c1C
InChIInChI=1S/C14H23N3O/c1-5-7-8-10-18-14-11(3)13(15-4)16-12(17-14)9-6-2/h5H,1,6-10H2,2-4H3,(H,15,16,17)
InChIKeyUKPXLUPPLHENSQ-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794156
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80989080
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
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603
2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990033
6-but-3-ynoxy-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 106795584

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine (CID 80989853) is N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine is C=CCCCOc1nc(CCC)nc(NC)c1C.
What is the InChIKey of N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine?
The InChIKey is UKPXLUPPLHENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-7-8-10-18-14-11(3)13(15-4)16-12(17-14)9-6-2/h5H,1,6-10H2,2-4H3,(H,15,16,17).
What are the key properties of N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine?
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).