N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 80879453

IUPACN,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2ncnc(NCC)c2CC)cc1
InChIInChI=1S/C17H23N3O/c1-4-7-13-8-10-14(11-9-13)21-17-15(5-2)16(18-6-3)19-12-20-17/h8-12H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyBQISAXOFFZIJTB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.22
Rot. Bonds7

About N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine

N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine (PubChem CID 80879453) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
PubChem CID80879453
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2ncnc(NCC)c2CC)cc1
InChIInChI=1S/C17H23N3O/c1-4-7-13-8-10-14(11-9-13)21-17-15(5-2)16(18-6-3)19-12-20-17/h8-12H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyBQISAXOFFZIJTB-UHFFFAOYSA-N
XLogP4.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine (CID 80879453) is N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine is CCCc1ccc(Oc2ncnc(NCC)c2CC)cc1.
What is the InChIKey of N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The InChIKey is BQISAXOFFZIJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-7-13-8-10-14(11-9-13)21-17-15(5-2)16(18-6-3)19-12-20-17/h8-12H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine?
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80879453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).