N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C21H27N5O — CID 46989726

IUPACN-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1ccc(Oc2ncccn2)cc1)C(C)C
InChIInChI=1S/C21H27N5O/c1-15(2)26(14-20-16(3)24-25(5)17(20)4)13-18-7-9-19(10-8-18)27-21-22-11-6-12-23-21/h6-12,15H,13-14H2,1-5H3
InChIKeyOGWZFJKIHXFMNX-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.03
Rot. Bonds7

About N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 46989726) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID46989726
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1ccc(Oc2ncccn2)cc1)C(C)C
InChIInChI=1S/C21H27N5O/c1-15(2)26(14-20-16(3)24-25(5)17(20)4)13-18-7-9-19(10-8-18)27-21-22-11-6-12-23-21/h6-12,15H,13-14H2,1-5H3
InChIKeyOGWZFJKIHXFMNX-UHFFFAOYSA-N
XLogP4.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 46989726) is N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1CN(Cc1ccc(Oc2ncccn2)cc1)C(C)C.
What is the InChIKey of N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is OGWZFJKIHXFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15(2)26(14-20-16(3)24-25(5)17(20)4)13-18-7-9-19(10-8-18)27-21-22-11-6-12-23-21/h6-12,15H,13-14H2,1-5H3.
What are the key properties of N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 365.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 46989726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).