N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine

C15H23N5O — CID 116806444

IUPACN-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-5-7-13-14(16-6-2)17-10-18-15(13)21-12-8-19-20(9-12)11(3)4/h8-11H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyYSNSUXVXCHFTGP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.43
Rot. Bonds7

About N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine

N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine (PubChem CID 116806444) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine
PubChem CID116806444
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-5-7-13-14(16-6-2)17-10-18-15(13)21-12-8-19-20(9-12)11(3)4/h8-11H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyYSNSUXVXCHFTGP-UHFFFAOYSA-N
XLogP3.43
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806942
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806620
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
N-ethyl-5-methoxy-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794457
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
6-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 81346872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine (CID 116806444) is N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Oc1cnn(C(C)C)c1.
What is the InChIKey of N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine?
The InChIKey is YSNSUXVXCHFTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-7-13-14(16-6-2)17-10-18-15(13)21-12-8-19-20(9-12)11(3)4/h8-11H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine?
N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine is sourced from PubChem (CID 116806444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).