5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine

C12H15N5O — CID 22607574

IUPAC5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
SMILESNCCOc1cccc(-c2cnc(N)nc2N)c1
InChIInChI=1S/C12H15N5O/c13-4-5-18-9-3-1-2-8(6-9)10-7-16-12(15)17-11(10)14/h1-3,6-7H,4-5,13H2,(H4,14,15,16,17)
InChIKeyJLSLDBOJRCIGRU-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.65
Rot. Bonds4

About 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine

5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 22607574) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID22607574
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
SMILESNCCOc1cccc(-c2cnc(N)nc2N)c1
InChIInChI=1S/C12H15N5O/c13-4-5-18-9-3-1-2-8(6-9)10-7-16-12(15)17-11(10)14/h1-3,6-7H,4-5,13H2,(H4,14,15,16,17)
InChIKeyJLSLDBOJRCIGRU-UHFFFAOYSA-N
XLogP0.65
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
CID 150426927
5-[3-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 69064849
2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
CID 82478568
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
5-(2-aminoethoxy)pyrimidin-2-amine
CID 117229813
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
5-(3-amino-4-chlorophenyl)pyrimidine-2,4-diamine
CID 54443676
6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
CID 58103107
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
CID 82472180

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine (CID 22607574) is 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine is NCCOc1cccc(-c2cnc(N)nc2N)c1.
What is the InChIKey of 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is JLSLDBOJRCIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-4-5-18-9-3-1-2-8(6-9)10-7-16-12(15)17-11(10)14/h1-3,6-7H,4-5,13H2,(H4,14,15,16,17).
What are the key properties of 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine?
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22607574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).