N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine

C14H21N5O — CID 116806201

IUPACN-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCCCn1cc(Oc2ncnc(NC)c2C(C)C)cn1
InChIInChI=1S/C14H21N5O/c1-5-6-19-8-11(7-18-19)20-14-12(10(2)3)13(15-4)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyOHLFHKVBLVWQLL-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.04
Rot. Bonds6

About N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine

N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 116806201) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID116806201
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCCCn1cc(Oc2ncnc(NC)c2C(C)C)cn1
InChIInChI=1S/C14H21N5O/c1-5-6-19-8-11(7-18-19)20-14-12(10(2)3)13(15-4)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyOHLFHKVBLVWQLL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
[5-methyl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806862
N,5-dimethyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806255
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
[5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806864
N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 116805921
N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
CID 114788091
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine (CID 116806201) is N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine is CCCn1cc(Oc2ncnc(NC)c2C(C)C)cn1.
What is the InChIKey of N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is OHLFHKVBLVWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-6-19-8-11(7-18-19)20-14-12(10(2)3)13(15-4)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 116806201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).