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

C15H23N5O — CID 116802250

IUPAC2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ncc(CNC(C)(C)C)cn2)cn1
InChIInChI=1S/C15H23N5O/c1-5-6-20-11-13(10-19-20)21-14-16-7-12(8-17-14)9-18-15(2,3)4/h7-8,10-11,18H,5-6,9H2,1-4H3
InChIKeyDIAWTTFPEDBSQV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds6

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

2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 116802250) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine
PubChem CID116802250
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ncc(CNC(C)(C)C)cn2)cn1
InChIInChI=1S/C15H23N5O/c1-5-6-20-11-13(10-19-20)21-14-16-7-12(8-17-14)9-18-15(2,3)4/h7-8,10-11,18H,5-6,9H2,1-4H3
InChIKeyDIAWTTFPEDBSQV-UHFFFAOYSA-N
XLogP2.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125
N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802121
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
2-methyl-N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 116803459
N-[[2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802810
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802838
4-propoxy-1-propylpyrazole
CID 116805185
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine (CID 116802250) is 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine is CCCn1cc(Oc2ncc(CNC(C)(C)C)cn2)cn1.
What is the InChIKey of 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is DIAWTTFPEDBSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-6-20-11-13(10-19-20)21-14-16-7-12(8-17-14)9-18-15(2,3)4/h7-8,10-11,18H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116802250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).