N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine

C17H25N5O — CID 70725122

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2cncnc2)O1
InChIInChI=1S/C17H25N5O/c1-3-22(11-15-9-20-21(2)10-15)12-17-5-4-16(23-17)6-14-7-18-13-19-8-14/h7-10,13,16-17H,3-6,11-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyCGWIJSLCCJZCKA-DLBZAZTESA-N
MW315.42 g/mol
LogP1.82
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 70725122) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID70725122
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2cncnc2)O1
InChIInChI=1S/C17H25N5O/c1-3-22(11-15-9-20-21(2)10-15)12-17-5-4-16(23-17)6-14-7-18-13-19-8-14/h7-10,13,16-17H,3-6,11-12H2,1-2H3/t16-,17+/m0/s1
InChIKeyCGWIJSLCCJZCKA-DLBZAZTESA-N
XLogP1.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine (CID 70725122) is N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine is CCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2cncnc2)O1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is CGWIJSLCCJZCKA-DLBZAZTESA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-22(11-15-9-20-21(2)10-15)12-17-5-4-16(23-17)6-14-7-18-13-19-8-14/h7-10,13,16-17H,3-6,11-12H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 315.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-(pyrimidin-5-ylmethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 70725122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).