N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine

C12H17N5O — CID 116806326

IUPACN-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCn1cc(Oc2ccnc(NCC)n2)cn1
InChIInChI=1S/C12H17N5O/c1-3-7-17-9-10(8-15-17)18-11-5-6-14-12(16-11)13-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeySRFVJUJOQMDTFP-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.31
Rot. Bonds6

About N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine

N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine (PubChem CID 116806326) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
PubChem CID116806326
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCCn1cc(Oc2ccnc(NCC)n2)cn1
InChIInChI=1S/C12H17N5O/c1-3-7-17-9-10(8-15-17)18-11-5-6-14-12(16-11)13-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeySRFVJUJOQMDTFP-UHFFFAOYSA-N
XLogP2.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333526
N-[[6-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methyl]ethanamine
CID 116802960
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363
3,5-dichloro-N-ethyl-6-(1-propylpyrazol-4-yl)oxypyridin-2-amine
CID 102761179
[5-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methanamine
CID 116800165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine (CID 116806326) is N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine is CCCn1cc(Oc2ccnc(NCC)n2)cn1.
What is the InChIKey of N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
The InChIKey is SRFVJUJOQMDTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-7-17-9-10(8-15-17)18-11-5-6-14-12(16-11)13-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine?
N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 116806326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).