N-ethyl-5-phenylmethoxypyrimidin-2-amine

C13H15N3O — CID 130337236

IUPACN-ethyl-5-phenylmethoxypyrimidin-2-amine
SMILESCCNc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C13H15N3O/c1-2-14-13-15-8-12(9-16-13)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15,16)
InChIKeyDCLLGGBHWPEFBO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-5-phenylmethoxypyrimidin-2-amine

N-ethyl-5-phenylmethoxypyrimidin-2-amine (PubChem CID 130337236) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-ethyl-5-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-phenylmethoxypyrimidin-2-amine
PubChem CID130337236
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-5-phenylmethoxypyrimidin-2-amine
SMILESCCNc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C13H15N3O/c1-2-14-13-15-8-12(9-16-13)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15,16)
InChIKeyDCLLGGBHWPEFBO-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
CID 154136331
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
N-ethyl-2,5-bis(phenylmethoxy)aniline
CID 15565906
N-(4-phenylmethoxyphenoxy)ethanamine
CID 88801073
N-benzyl-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 71738065
N-benzyl-4-iodoaniline;2-bromo-5-phenylmethoxypyrimidine
CID 174962993
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
CID 103057962

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-ethyl-5-phenylmethoxypyrimidin-2-amine (CID 130337236) is N-ethyl-5-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-phenylmethoxypyrimidin-2-amine is CCNc1ncc(OCc2ccccc2)cn1.
What is the InChIKey of N-ethyl-5-phenylmethoxypyrimidin-2-amine?
The InChIKey is DCLLGGBHWPEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-14-13-15-8-12(9-16-13)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-5-phenylmethoxypyrimidin-2-amine?
N-ethyl-5-phenylmethoxypyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 130337236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).