2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide

C13H13ClN4O — CID 107551013

IUPAC2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(Cl)c(CC)c2)n1
InChIInChI=1S/C13H13ClN4O/c1-2-8-7-9(3-4-10(8)14)19-13-17-6-5-11(18-13)12(15)16/h3-7H,2H2,1H3,(H3,15,16)
InChIKeySANVDOAEEVFXKR-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide

2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide (PubChem CID 107551013) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
PubChem CID107551013
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(Cl)c(CC)c2)n1
InChIInChI=1S/C13H13ClN4O/c1-2-8-7-9(3-4-10(8)14)19-13-17-6-5-11(18-13)12(15)16/h3-7H,2H2,1H3,(H3,15,16)
InChIKeySANVDOAEEVFXKR-UHFFFAOYSA-N
XLogP2.77
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
CID 107551111
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845
2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551290
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110642
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
CID 62859376
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
2-cycloheptyloxypyrimidine-4-carboximidamide
CID 107551067
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide (CID 107551013) is 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(Cl)c(CC)c2)n1.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide?
The InChIKey is SANVDOAEEVFXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-2-8-7-9(3-4-10(8)14)19-13-17-6-5-11(18-13)12(15)16/h3-7H,2H2,1H3,(H3,15,16).
What are the key properties of 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide?
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide has a molecular weight of 276.73 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).