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

C14H21N5O — CID 116794391

IUPAC6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2cnn(C)c2)c1C(C)C
InChIInChI=1S/C14H21N5O/c1-5-6-15-13-12(10(2)3)14(17-9-16-13)20-11-7-18-19(4)8-11/h7-10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyPWZYYNMMCLJTCO-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.95
Rot. Bonds6

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

6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 116794391) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID116794391
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2cnn(C)c2)c1C(C)C
InChIInChI=1S/C14H21N5O/c1-5-6-15-13-12(10(2)3)14(17-9-16-13)20-11-7-18-19(4)8-11/h7-10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyPWZYYNMMCLJTCO-UHFFFAOYSA-N
XLogP2.95
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806201
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80879410
6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103286435
N-ethyl-5-methoxy-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794457
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-4-amine
CID 116794371
5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858384
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine
CID 116806444
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 102807888

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 116794391) is 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2cnn(C)c2)c1C(C)C.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PWZYYNMMCLJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-6-15-13-12(10(2)3)14(17-9-16-13)20-11-7-18-19(4)8-11/h7-10H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116794391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).