N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine

C17H19N5O — CID 175860647

IUPACN-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccncn1)c1cccc(OCc2ccn(C)n2)c1
InChIInChI=1S/C17H19N5O/c1-13(20-17-6-8-18-12-19-17)14-4-3-5-16(10-14)23-11-15-7-9-22(2)21-15/h3-10,12-13H,11H2,1-2H3,(H,18,19,20)
InChIKeyUGISRCGFPRZWPE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds6

About N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine

N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine (PubChem CID 175860647) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
PubChem CID175860647
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccncn1)c1cccc(OCc2ccn(C)n2)c1
InChIInChI=1S/C17H19N5O/c1-13(20-17-6-8-18-12-19-17)14-4-3-5-16(10-14)23-11-15-7-9-22(2)21-15/h3-10,12-13H,11H2,1-2H3,(H,18,19,20)
InChIKeyUGISRCGFPRZWPE-UHFFFAOYSA-N
XLogP2.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxy-4-methylphenyl)-2-methyl-N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
CID 70977939
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82866640
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine (CID 175860647) is N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine is CC(Nc1ccncn1)c1cccc(OCc2ccn(C)n2)c1.
What is the InChIKey of N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is UGISRCGFPRZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13(20-17-6-8-18-12-19-17)14-4-3-5-16(10-14)23-11-15-7-9-22(2)21-15/h3-10,12-13H,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine?
N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175860647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).