2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine

C14H17N3O — CID 82168504

IUPAC2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
SMILESCC(C)c1ccc(OCc2ncc(N)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)11-3-5-13(6-4-11)18-9-14-16-7-12(15)8-17-14/h3-8,10H,9,15H2,1-2H3
InChIKeyLPMZWICYGABWMV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.76
Rot. Bonds4

About 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine

2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine (PubChem CID 82168504) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
PubChem CID82168504
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
SMILESCC(C)c1ccc(OCc2ncc(N)cn2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)11-3-5-13(6-4-11)18-9-14-16-7-12(15)8-17-14/h3-8,10H,9,15H2,1-2H3
InChIKeyLPMZWICYGABWMV-UHFFFAOYSA-N
XLogP2.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-aminopyrimidin-2-yl)methoxy]phenol
CID 105470751
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082161
3-[(4-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082439
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
3-bromo-2-[(4-propan-2-ylphenoxy)methyl]aniline
CID 43168975
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine (CID 82168504) is 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine is CC(C)c1ccc(OCc2ncc(N)cn2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine?
The InChIKey is LPMZWICYGABWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)11-3-5-13(6-4-11)18-9-14-16-7-12(15)8-17-14/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine?
2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82168504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).