(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine

C14H17N3O — CID 115827027

IUPAC(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
SMILESCC(C)Oc1cccc(C(N)c2cncnc2)c1
InChIInChI=1S/C14H17N3O/c1-10(2)18-13-5-3-4-11(6-13)14(15)12-7-16-9-17-8-12/h3-10,14H,15H2,1-2H3
InChIKeyFWVFJJLEEUJDHF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds4

About (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine

(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine (PubChem CID 115827027) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
PubChem CID115827027
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
SMILESCC(C)Oc1cccc(C(N)c2cncnc2)c1
InChIInChI=1S/C14H17N3O/c1-10(2)18-13-5-3-4-11(6-13)14(15)12-7-16-9-17-8-12/h3-10,14H,15H2,1-2H3
InChIKeyFWVFJJLEEUJDHF-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
CID 68522251
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 61331308
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
di(pyrimidin-5-yl)methanamine
CID 102923336

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine (CID 115827027) is (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine is CC(C)Oc1cccc(C(N)c2cncnc2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine?
The InChIKey is FWVFJJLEEUJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)18-13-5-3-4-11(6-13)14(15)12-7-16-9-17-8-12/h3-10,14H,15H2,1-2H3.
What are the key properties of (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine?
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).