6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine

C12H18N6O — CID 116805934

IUPAC6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2cnn(CC)c2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-3-5-14-10-6-11(17-12(13)16-10)19-9-7-15-18(4-2)8-9/h6-8H,3-5H2,1-2H3,(H3,13,14,16,17)
InChIKeyALMSPMZKOYQUHI-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.89
Rot. Bonds6

About 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine

6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine (PubChem CID 116805934) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
PubChem CID116805934
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2cnn(CC)c2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-3-5-14-10-6-11(17-12(13)16-10)19-9-7-15-18(4-2)8-9/h6-8H,3-5H2,1-2H3,(H3,13,14,16,17)
InChIKeyALMSPMZKOYQUHI-UHFFFAOYSA-N
XLogP1.89
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
CID 80881143
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053016
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800
[2-tert-butyl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806890
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
4-chloro-6-(1-ethylpyrazol-4-yl)oxy-2-propylpyrimidine
CID 116801019

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine (CID 116805934) is 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(Oc2cnn(CC)c2)nc(N)n1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is ALMSPMZKOYQUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-5-14-10-6-11(17-12(13)16-10)19-9-7-15-18(4-2)8-9/h6-8H,3-5H2,1-2H3,(H3,13,14,16,17).
What are the key properties of 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine?
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 116805934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).